From 7b1173b43661d53ac4cc05e54b169095559c3dd2 Mon Sep 17 00:00:00 2001
From: Max Luebke <mluebke@gfz-potsdam.de>
Date: Thu, 13 Mar 2025 19:50:22 +0100
Subject: [PATCH] Add Barite benchmark results

---
 barite/barite_fgcs_2_1_128_1/ema.out.csv      |   5 +
 barite/barite_fgcs_2_1_128_1/iter_0000.qs2    |   3 +
 barite/barite_fgcs_2_1_128_1/iter_0001.qs2    |   3 +
 barite/barite_fgcs_2_1_128_1/iter_0002.qs2    |   3 +
 barite/barite_fgcs_2_1_128_1/iter_0003.qs2    |   3 +
 barite/barite_fgcs_2_1_128_1/iter_0004.qs2    |   3 +
 barite/barite_fgcs_2_1_128_1/iter_0005.qs2    |   3 +
 barite/barite_fgcs_2_1_128_1/iter_0006.qs2    |   3 +
 barite/barite_fgcs_2_1_128_1/iter_0007.qs2    |   3 +
 barite/barite_fgcs_2_1_128_1/iter_0008.qs2    |   3 +
 barite/barite_fgcs_2_1_128_1/iter_0009.qs2    |   3 +
 barite/barite_fgcs_2_1_128_1/iter_0010.qs2    |   3 +
 barite/barite_fgcs_2_1_128_1/iter_0020.qs2    |   3 +
 barite/barite_fgcs_2_1_128_1/iter_0030.qs2    |   3 +
 barite/barite_fgcs_2_1_128_1/iter_0040.qs2    |   3 +
 barite/barite_fgcs_2_1_128_1/iter_0050.qs2    |   3 +
 barite/barite_fgcs_2_1_128_1/iter_0060.qs2    |   3 +
 barite/barite_fgcs_2_1_128_1/iter_0070.qs2    |   3 +
 barite/barite_fgcs_2_1_128_1/iter_0080.qs2    |   3 +
 barite/barite_fgcs_2_1_128_1/iter_0090.qs2    |   3 +
 barite/barite_fgcs_2_1_128_1/iter_0100.qs2    |   3 +
 barite/barite_fgcs_2_1_128_1/iter_0200.qs2    |   3 +
 barite/barite_fgcs_2_1_128_1/iter_0300.qs2    |   3 +
 barite/barite_fgcs_2_1_128_1/iter_0400.qs2    |   3 +
 barite/barite_fgcs_2_1_128_1/iter_0500.qs2    |   3 +
 barite/barite_fgcs_2_1_128_1/iter_0600.qs2    |   3 +
 barite/barite_fgcs_2_1_128_1/iter_0700.qs2    |   3 +
 barite/barite_fgcs_2_1_128_1/iter_0800.qs2    |   3 +
 barite/barite_fgcs_2_1_128_1/iter_0900.qs2    |   3 +
 barite/barite_fgcs_2_1_128_1/iter_1000.qs2    |   3 +
 barite/barite_fgcs_2_1_128_1/iter_1100.qs2    |   3 +
 barite/barite_fgcs_2_1_128_1/iter_1200.qs2    |   3 +
 barite/barite_fgcs_2_1_128_1/iter_1300.qs2    |   3 +
 barite/barite_fgcs_2_1_128_1/iter_1400.qs2    |   3 +
 barite/barite_fgcs_2_1_128_1/iter_1500.qs2    |   3 +
 barite/barite_fgcs_2_1_128_1/iter_1600.qs2    |   3 +
 barite/barite_fgcs_2_1_128_1/iter_1700.qs2    |   3 +
 barite/barite_fgcs_2_1_128_1/iter_1800.qs2    |   3 +
 barite/barite_fgcs_2_1_128_1/iter_1900.qs2    |   3 +
 barite/barite_fgcs_2_1_128_1/iter_2000.qs2    |   3 +
 barite/barite_fgcs_2_1_128_1/iter_2100.qs2    |   3 +
 barite/barite_fgcs_2_1_128_1/iter_2200.qs2    |   3 +
 barite/barite_fgcs_2_1_128_1/iter_2300.qs2    |   3 +
 barite/barite_fgcs_2_1_128_1/iter_2400.qs2    |   3 +
 barite/barite_fgcs_2_1_128_1/iter_2500.qs2    |   3 +
 barite/barite_fgcs_2_1_128_1/iter_2600.qs2    |   3 +
 barite/barite_fgcs_2_1_128_1/iter_2700.qs2    |   3 +
 barite/barite_fgcs_2_1_128_1/iter_2800.qs2    |   3 +
 barite/barite_fgcs_2_1_128_1/iter_2900.qs2    |   3 +
 barite/barite_fgcs_2_1_128_1/iter_3000.qs2    |   3 +
 barite/barite_fgcs_2_1_128_1/iter_3100.qs2    |   3 +
 barite/barite_fgcs_2_1_128_1/iter_3200.qs2    |   3 +
 barite/barite_fgcs_2_1_128_1/iter_3300.qs2    |   3 +
 barite/barite_fgcs_2_1_128_1/iter_3400.qs2    |   3 +
 barite/barite_fgcs_2_1_128_1/iter_3500.qs2    |   3 +
 barite/barite_fgcs_2_1_128_1/iter_3600.qs2    |   3 +
 barite/barite_fgcs_2_1_128_1/iter_3700.qs2    |   3 +
 barite/barite_fgcs_2_1_128_1/iter_3800.qs2    |   3 +
 barite/barite_fgcs_2_1_128_1/iter_3900.qs2    |   3 +
 barite/barite_fgcs_2_1_128_1/iter_4000.qs2    |   3 +
 barite/barite_fgcs_2_1_128_1/iter_4100.qs2    |   3 +
 barite/barite_fgcs_2_1_128_1/iter_4200.qs2    |   3 +
 barite/barite_fgcs_2_1_128_1/iter_4300.qs2    |   3 +
 barite/barite_fgcs_2_1_128_1/iter_4400.qs2    |   3 +
 barite/barite_fgcs_2_1_128_1/iter_4500.qs2    |   3 +
 barite/barite_fgcs_2_1_128_1/iter_4600.qs2    |   3 +
 barite/barite_fgcs_2_1_128_1/iter_4700.qs2    |   3 +
 barite/barite_fgcs_2_1_128_1/iter_4800.qs2    |   3 +
 barite/barite_fgcs_2_1_128_1/iter_4900.qs2    |   3 +
 barite/barite_fgcs_2_1_128_1/iter_5000.qs2    |   3 +
 barite/barite_fgcs_2_1_128_1/timings.qs2      |   3 +
 barite/barite_fgcs_2_1_128_2/ema.out.csv      |   5 +
 barite/barite_fgcs_2_1_128_2/iter_0000.qs2    |   3 +
 barite/barite_fgcs_2_1_128_2/iter_0001.qs2    |   3 +
 barite/barite_fgcs_2_1_128_2/iter_0002.qs2    |   3 +
 barite/barite_fgcs_2_1_128_2/iter_0003.qs2    |   3 +
 barite/barite_fgcs_2_1_128_2/iter_0004.qs2    |   3 +
 barite/barite_fgcs_2_1_128_2/iter_0005.qs2    |   3 +
 barite/barite_fgcs_2_1_128_2/iter_0006.qs2    |   3 +
 barite/barite_fgcs_2_1_128_2/iter_0007.qs2    |   3 +
 barite/barite_fgcs_2_1_128_2/iter_0008.qs2    |   3 +
 barite/barite_fgcs_2_1_128_2/iter_0009.qs2    |   3 +
 barite/barite_fgcs_2_1_128_2/iter_0010.qs2    |   3 +
 barite/barite_fgcs_2_1_128_2/iter_0020.qs2    |   3 +
 barite/barite_fgcs_2_1_128_2/iter_0030.qs2    |   3 +
 barite/barite_fgcs_2_1_128_2/iter_0040.qs2    |   3 +
 barite/barite_fgcs_2_1_128_2/iter_0050.qs2    |   3 +
 barite/barite_fgcs_2_1_128_2/iter_0060.qs2    |   3 +
 barite/barite_fgcs_2_1_128_2/iter_0070.qs2    |   3 +
 barite/barite_fgcs_2_1_128_2/iter_0080.qs2    |   3 +
 barite/barite_fgcs_2_1_128_2/iter_0090.qs2    |   3 +
 barite/barite_fgcs_2_1_128_2/iter_0100.qs2    |   3 +
 barite/barite_fgcs_2_1_128_2/iter_0200.qs2    |   3 +
 barite/barite_fgcs_2_1_128_2/iter_0300.qs2    |   3 +
 barite/barite_fgcs_2_1_128_2/iter_0400.qs2    |   3 +
 barite/barite_fgcs_2_1_128_2/iter_0500.qs2    |   3 +
 barite/barite_fgcs_2_1_128_2/iter_0600.qs2    |   3 +
 barite/barite_fgcs_2_1_128_2/iter_0700.qs2    |   3 +
 barite/barite_fgcs_2_1_128_2/iter_0800.qs2    |   3 +
 barite/barite_fgcs_2_1_128_2/iter_0900.qs2    |   3 +
 barite/barite_fgcs_2_1_128_2/iter_1000.qs2    |   3 +
 barite/barite_fgcs_2_1_128_2/iter_1100.qs2    |   3 +
 barite/barite_fgcs_2_1_128_2/iter_1200.qs2    |   3 +
 barite/barite_fgcs_2_1_128_2/iter_1300.qs2    |   3 +
 barite/barite_fgcs_2_1_128_2/iter_1400.qs2    |   3 +
 barite/barite_fgcs_2_1_128_2/iter_1500.qs2    |   3 +
 barite/barite_fgcs_2_1_128_2/iter_1600.qs2    |   3 +
 barite/barite_fgcs_2_1_128_2/iter_1700.qs2    |   3 +
 barite/barite_fgcs_2_1_128_2/iter_1800.qs2    |   3 +
 barite/barite_fgcs_2_1_128_2/iter_1900.qs2    |   3 +
 barite/barite_fgcs_2_1_128_2/iter_2000.qs2    |   3 +
 barite/barite_fgcs_2_1_128_2/iter_2100.qs2    |   3 +
 barite/barite_fgcs_2_1_128_2/iter_2200.qs2    |   3 +
 barite/barite_fgcs_2_1_128_2/iter_2300.qs2    |   3 +
 barite/barite_fgcs_2_1_128_2/iter_2400.qs2    |   3 +
 barite/barite_fgcs_2_1_128_2/iter_2500.qs2    |   3 +
 barite/barite_fgcs_2_1_128_2/iter_2600.qs2    |   3 +
 barite/barite_fgcs_2_1_128_2/iter_2700.qs2    |   3 +
 barite/barite_fgcs_2_1_128_2/iter_2800.qs2    |   3 +
 barite/barite_fgcs_2_1_128_2/iter_2900.qs2    |   3 +
 barite/barite_fgcs_2_1_128_2/iter_3000.qs2    |   3 +
 barite/barite_fgcs_2_1_128_2/iter_3100.qs2    |   3 +
 barite/barite_fgcs_2_1_128_2/iter_3200.qs2    |   3 +
 barite/barite_fgcs_2_1_128_2/iter_3300.qs2    |   3 +
 barite/barite_fgcs_2_1_128_2/iter_3400.qs2    |   3 +
 barite/barite_fgcs_2_1_128_2/iter_3500.qs2    |   3 +
 barite/barite_fgcs_2_1_128_2/iter_3600.qs2    |   3 +
 barite/barite_fgcs_2_1_128_2/iter_3700.qs2    |   3 +
 barite/barite_fgcs_2_1_128_2/iter_3800.qs2    |   3 +
 barite/barite_fgcs_2_1_128_2/iter_3900.qs2    |   3 +
 barite/barite_fgcs_2_1_128_2/iter_4000.qs2    |   3 +
 barite/barite_fgcs_2_1_128_2/iter_4100.qs2    |   3 +
 barite/barite_fgcs_2_1_128_2/iter_4200.qs2    |   3 +
 barite/barite_fgcs_2_1_128_2/iter_4300.qs2    |   3 +
 barite/barite_fgcs_2_1_128_2/iter_4400.qs2    |   3 +
 barite/barite_fgcs_2_1_128_2/iter_4500.qs2    |   3 +
 barite/barite_fgcs_2_1_128_2/iter_4600.qs2    |   3 +
 barite/barite_fgcs_2_1_128_2/iter_4700.qs2    |   3 +
 barite/barite_fgcs_2_1_128_2/iter_4800.qs2    |   3 +
 barite/barite_fgcs_2_1_128_2/iter_4900.qs2    |   3 +
 barite/barite_fgcs_2_1_128_2/iter_5000.qs2    |   3 +
 barite/barite_fgcs_2_1_128_2/timings.qs2      |   3 +
 barite/barite_fgcs_2_1_128_3/ema.out.csv      |   5 +
 barite/barite_fgcs_2_1_128_3/iter_0000.qs2    |   3 +
 barite/barite_fgcs_2_1_128_3/iter_0001.qs2    |   3 +
 barite/barite_fgcs_2_1_128_3/iter_0002.qs2    |   3 +
 barite/barite_fgcs_2_1_128_3/iter_0003.qs2    |   3 +
 barite/barite_fgcs_2_1_128_3/iter_0004.qs2    |   3 +
 barite/barite_fgcs_2_1_128_3/iter_0005.qs2    |   3 +
 barite/barite_fgcs_2_1_128_3/iter_0006.qs2    |   3 +
 barite/barite_fgcs_2_1_128_3/iter_0007.qs2    |   3 +
 barite/barite_fgcs_2_1_128_3/iter_0008.qs2    |   3 +
 barite/barite_fgcs_2_1_128_3/iter_0009.qs2    |   3 +
 barite/barite_fgcs_2_1_128_3/iter_0010.qs2    |   3 +
 barite/barite_fgcs_2_1_128_3/iter_0020.qs2    |   3 +
 barite/barite_fgcs_2_1_128_3/iter_0030.qs2    |   3 +
 barite/barite_fgcs_2_1_128_3/iter_0040.qs2    |   3 +
 barite/barite_fgcs_2_1_128_3/iter_0050.qs2    |   3 +
 barite/barite_fgcs_2_1_128_3/iter_0060.qs2    |   3 +
 barite/barite_fgcs_2_1_128_3/iter_0070.qs2    |   3 +
 barite/barite_fgcs_2_1_128_3/iter_0080.qs2    |   3 +
 barite/barite_fgcs_2_1_128_3/iter_0090.qs2    |   3 +
 barite/barite_fgcs_2_1_128_3/iter_0100.qs2    |   3 +
 barite/barite_fgcs_2_1_128_3/iter_0200.qs2    |   3 +
 barite/barite_fgcs_2_1_128_3/iter_0300.qs2    |   3 +
 barite/barite_fgcs_2_1_128_3/iter_0400.qs2    |   3 +
 barite/barite_fgcs_2_1_128_3/iter_0500.qs2    |   3 +
 barite/barite_fgcs_2_1_128_3/iter_0600.qs2    |   3 +
 barite/barite_fgcs_2_1_128_3/iter_0700.qs2    |   3 +
 barite/barite_fgcs_2_1_128_3/iter_0800.qs2    |   3 +
 barite/barite_fgcs_2_1_128_3/iter_0900.qs2    |   3 +
 barite/barite_fgcs_2_1_128_3/iter_1000.qs2    |   3 +
 barite/barite_fgcs_2_1_128_3/iter_1100.qs2    |   3 +
 barite/barite_fgcs_2_1_128_3/iter_1200.qs2    |   3 +
 barite/barite_fgcs_2_1_128_3/iter_1300.qs2    |   3 +
 barite/barite_fgcs_2_1_128_3/iter_1400.qs2    |   3 +
 barite/barite_fgcs_2_1_128_3/iter_1500.qs2    |   3 +
 barite/barite_fgcs_2_1_128_3/iter_1600.qs2    |   3 +
 barite/barite_fgcs_2_1_128_3/iter_1700.qs2    |   3 +
 barite/barite_fgcs_2_1_128_3/iter_1800.qs2    |   3 +
 barite/barite_fgcs_2_1_128_3/iter_1900.qs2    |   3 +
 barite/barite_fgcs_2_1_128_3/iter_2000.qs2    |   3 +
 barite/barite_fgcs_2_1_128_3/iter_2100.qs2    |   3 +
 barite/barite_fgcs_2_1_128_3/iter_2200.qs2    |   3 +
 barite/barite_fgcs_2_1_128_3/iter_2300.qs2    |   3 +
 barite/barite_fgcs_2_1_128_3/iter_2400.qs2    |   3 +
 barite/barite_fgcs_2_1_128_3/iter_2500.qs2    |   3 +
 barite/barite_fgcs_2_1_128_3/iter_2600.qs2    |   3 +
 barite/barite_fgcs_2_1_128_3/iter_2700.qs2    |   3 +
 barite/barite_fgcs_2_1_128_3/iter_2800.qs2    |   3 +
 barite/barite_fgcs_2_1_128_3/iter_2900.qs2    |   3 +
 barite/barite_fgcs_2_1_128_3/iter_3000.qs2    |   3 +
 barite/barite_fgcs_2_1_128_3/iter_3100.qs2    |   3 +
 barite/barite_fgcs_2_1_128_3/iter_3200.qs2    |   3 +
 barite/barite_fgcs_2_1_128_3/iter_3300.qs2    |   3 +
 barite/barite_fgcs_2_1_128_3/iter_3400.qs2    |   3 +
 barite/barite_fgcs_2_1_128_3/iter_3500.qs2    |   3 +
 barite/barite_fgcs_2_1_128_3/iter_3600.qs2    |   3 +
 barite/barite_fgcs_2_1_128_3/iter_3700.qs2    |   3 +
 barite/barite_fgcs_2_1_128_3/iter_3800.qs2    |   3 +
 barite/barite_fgcs_2_1_128_3/iter_3900.qs2    |   3 +
 barite/barite_fgcs_2_1_128_3/iter_4000.qs2    |   3 +
 barite/barite_fgcs_2_1_128_3/iter_4100.qs2    |   3 +
 barite/barite_fgcs_2_1_128_3/iter_4200.qs2    |   3 +
 barite/barite_fgcs_2_1_128_3/iter_4300.qs2    |   3 +
 barite/barite_fgcs_2_1_128_3/iter_4400.qs2    |   3 +
 barite/barite_fgcs_2_1_128_3/iter_4500.qs2    |   3 +
 barite/barite_fgcs_2_1_128_3/iter_4600.qs2    |   3 +
 barite/barite_fgcs_2_1_128_3/iter_4700.qs2    |   3 +
 barite/barite_fgcs_2_1_128_3/iter_4800.qs2    |   3 +
 barite/barite_fgcs_2_1_128_3/iter_4900.qs2    |   3 +
 barite/barite_fgcs_2_1_128_3/iter_5000.qs2    |   3 +
 barite/barite_fgcs_2_1_128_3/timings.qs2      |   3 +
 barite/barite_fgcs_2_2_128_1/ema.out.csv      |   5 +
 barite/barite_fgcs_2_2_128_1/iter_0000.qs2    |   3 +
 barite/barite_fgcs_2_2_128_1/iter_0001.qs2    |   3 +
 barite/barite_fgcs_2_2_128_1/iter_0002.qs2    |   3 +
 barite/barite_fgcs_2_2_128_1/iter_0003.qs2    |   3 +
 barite/barite_fgcs_2_2_128_1/iter_0004.qs2    |   3 +
 barite/barite_fgcs_2_2_128_1/iter_0005.qs2    |   3 +
 barite/barite_fgcs_2_2_128_1/iter_0006.qs2    |   3 +
 barite/barite_fgcs_2_2_128_1/iter_0007.qs2    |   3 +
 barite/barite_fgcs_2_2_128_1/iter_0008.qs2    |   3 +
 barite/barite_fgcs_2_2_128_1/iter_0009.qs2    |   3 +
 barite/barite_fgcs_2_2_128_1/iter_0010.qs2    |   3 +
 barite/barite_fgcs_2_2_128_1/iter_0020.qs2    |   3 +
 barite/barite_fgcs_2_2_128_1/iter_0030.qs2    |   3 +
 barite/barite_fgcs_2_2_128_1/iter_0040.qs2    |   3 +
 barite/barite_fgcs_2_2_128_1/iter_0050.qs2    |   3 +
 barite/barite_fgcs_2_2_128_1/iter_0060.qs2    |   3 +
 barite/barite_fgcs_2_2_128_1/iter_0070.qs2    |   3 +
 barite/barite_fgcs_2_2_128_1/iter_0080.qs2    |   3 +
 barite/barite_fgcs_2_2_128_1/iter_0090.qs2    |   3 +
 barite/barite_fgcs_2_2_128_1/iter_0100.qs2    |   3 +
 barite/barite_fgcs_2_2_128_1/iter_0200.qs2    |   3 +
 barite/barite_fgcs_2_2_128_1/iter_0300.qs2    |   3 +
 barite/barite_fgcs_2_2_128_1/iter_0400.qs2    |   3 +
 barite/barite_fgcs_2_2_128_1/iter_0500.qs2    |   3 +
 barite/barite_fgcs_2_2_128_1/iter_0600.qs2    |   3 +
 barite/barite_fgcs_2_2_128_1/iter_0700.qs2    |   3 +
 barite/barite_fgcs_2_2_128_1/iter_0800.qs2    |   3 +
 barite/barite_fgcs_2_2_128_1/iter_0900.qs2    |   3 +
 barite/barite_fgcs_2_2_128_1/iter_1000.qs2    |   3 +
 barite/barite_fgcs_2_2_128_1/iter_1100.qs2    |   3 +
 barite/barite_fgcs_2_2_128_1/iter_1200.qs2    |   3 +
 barite/barite_fgcs_2_2_128_1/iter_1300.qs2    |   3 +
 barite/barite_fgcs_2_2_128_1/iter_1400.qs2    |   3 +
 barite/barite_fgcs_2_2_128_1/iter_1500.qs2    |   3 +
 barite/barite_fgcs_2_2_128_1/iter_1600.qs2    |   3 +
 barite/barite_fgcs_2_2_128_1/iter_1700.qs2    |   3 +
 barite/barite_fgcs_2_2_128_1/iter_1800.qs2    |   3 +
 barite/barite_fgcs_2_2_128_1/iter_1900.qs2    |   3 +
 barite/barite_fgcs_2_2_128_1/iter_2000.qs2    |   3 +
 barite/barite_fgcs_2_2_128_1/iter_2100.qs2    |   3 +
 barite/barite_fgcs_2_2_128_1/iter_2200.qs2    |   3 +
 barite/barite_fgcs_2_2_128_1/iter_2300.qs2    |   3 +
 barite/barite_fgcs_2_2_128_1/iter_2400.qs2    |   3 +
 barite/barite_fgcs_2_2_128_1/iter_2500.qs2    |   3 +
 barite/barite_fgcs_2_2_128_1/iter_2600.qs2    |   3 +
 barite/barite_fgcs_2_2_128_1/iter_2700.qs2    |   3 +
 barite/barite_fgcs_2_2_128_1/iter_2800.qs2    |   3 +
 barite/barite_fgcs_2_2_128_1/iter_2900.qs2    |   3 +
 barite/barite_fgcs_2_2_128_1/iter_3000.qs2    |   3 +
 barite/barite_fgcs_2_2_128_1/iter_3100.qs2    |   3 +
 barite/barite_fgcs_2_2_128_1/iter_3200.qs2    |   3 +
 barite/barite_fgcs_2_2_128_1/iter_3300.qs2    |   3 +
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 barite/barite_fgcs_ref_128_3/iter_4800.qs2    |   3 +
 barite/barite_fgcs_ref_128_3/iter_4900.qs2    |   3 +
 barite/barite_fgcs_ref_128_3/iter_5000.qs2    |   3 +
 barite/barite_fgcs_ref_128_3/timings.qs2      |   3 +
 barite/error_eval/MAPE_Ba.pdf                 | Bin 0 -> 18140 bytes
 barite/error_eval/MAPE_Barite.pdf             | Bin 0 -> 19823 bytes
 barite/error_eval/MAPE_Celestite.pdf          | Bin 0 -> 22068 bytes
 .../eval_barite_aq_min_MAPE_RRMSE.csv         | 613 ++++++++++++++++++
 barite/eval_barite.jl                         | 194 ++++++
 eval_timings.jl                               | 253 ++++++++
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diff --git a/barite/error_eval/eval_barite_aq_min_MAPE_RRMSE.csv b/barite/error_eval/eval_barite_aq_min_MAPE_RRMSE.csv
new file mode 100644
index 0000000..81639a7
--- /dev/null
+++ b/barite/error_eval/eval_barite_aq_min_MAPE_RRMSE.csv
@@ -0,0 +1,613 @@
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+2,3,5000,1.7167928403048e-12,1.1167914350240782e-10,5.648398564812888e-8,1.541130422065204e-6,0.007750763395220731,0.18703274184584567,3.826716671108694e-7,8.357056626107779e-7,0.4680178243516359,0.37639621220966296,0.0009043846160913615,0.025660849501562805,0.09605547913317553,1.1639017318212592,1.0418900165550495e-5,9.372106109627153e-5,"(2, 3)"
+2,3,1000,6.256424603853824e-13,4.881885576346612e-11,2.3180651644954446e-8,1.4864709570024116e-6,0.6552973700702337,21.848894555805572,0.7046395370103306,21.48173957658589,0.0006004334997393244,0.033948252981845874,0.0004959382812877837,0.03289642853336987,0.0263685154726574,0.03191536171355913,5.150866822267881e-7,4.121966330610703e-5,"(2, 3)"
+2,3,1,3.2299560582258523e-16,1.591497766906258e-14,9.012323677856858e-15,2.460376347102056e-13,0.7055272850854236,49.776875535874716,0.7054829905816299,49.77062500000136,1.9763773571802303e-10,5.38164420707532e-9,1.975140222731822e-10,5.377788533378336e-9,0.0,0.0,1.7137261030977558e-13,6.590353372906594e-12,"(2, 3)"
+2,3,2800,1.343097759351513e-12,9.16814933693555e-11,3.4975794027424024e-8,9.20113271620851e-7,0.4295407332148825,0.8476136728428585,0.3534974453602872,0.6014208568625927,0.0057551925770115316,0.031215389355784703,0.0005803241514202409,0.017342622142400586,0.051757994384049474,0.3580669729403847,1.115419991643811e-6,3.6816152520960374e-5,"(2, 3)"
+2,3,300,1.5398734420242697e-13,1.2074576963283512e-11,1.9987179642228768e-8,1.4142300328295193e-6,0.650181121292336,40.0022156608047,0.6474158217027134,39.7940011575469,0.00044783665623400893,0.03165857108218813,0.00044695666442742544,0.03162663886708625,0.006561728422366365,0.005850176334064978,4.065439921894898e-7,3.882749923857726e-5,"(2, 3)"
+2,3,3400,1.4748115348241264e-12,9.732732390854704e-11,4.082319999227108e-8,1.236664039343735e-6,0.04342300386055422,0.20571156989260525,0.3385297681817261,0.16773056071350922,0.038769571943934655,0.06339908128665837,0.000686561193211345,0.02338781157325065,0.06580916585840939,0.5613980669227777,1.3401875591123074e-6,5.221357794681532e-5,"(2, 3)"
+2,3,1200,7.285069541524365e-13,5.6012419494266824e-11,1.919255265619905e-8,9.815427966570338e-7,0.5695435831608163,16.371623948478323,0.7517626759129326,16.435931542305322,0.0005985706638753322,0.02315841103042459,0.00037574040617344693,0.021345037990639706,0.03710652781149728,0.05995630045103935,4.768854938553344e-7,2.788763443237763e-5,"(2, 3)"
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+3,3,5000,1.8821208867522834e-12,1.36328851818579e-10,9.980456437688027e-9,3.604411730789847e-7,0.00029442476874147916,0.006822699915234899,3.8260900619973704e-7,6.446054259693496e-7,0.16012906572637056,0.12496131291554889,0.00017704823904663827,0.007344114333870413,0.050010748793376913,0.2988762581957278,3.7836165287486393e-7,1.2134707205946745e-5,"(3, 3)"
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+4,1,9,4.80056673521251e-15,3.176996860032588e-13,2.827379607352327e-11,1.9241793539070963e-9,0.7028078606621628,49.403484725205,0.7025380106032619,49.36955994816958,6.329092136578478e-7,4.307896552146091e-5,6.326431232606405e-7,4.305763959855303e-5,4.5520673503425066e-10,6.343845521855137e-10,5.551593458176731e-10,4.6004775098337334e-8,"(4, 1)"
+4,1,4400,1.7353029452218085e-12,1.2697290996399602e-10,3.542718381545802e-9,8.690140747988351e-8,0.001487995508272237,0.0047153603772083115,1.6495093066081904e-5,1.9572293308571795e-5,0.14355559171644872,0.06161719028206061,3.442619453459671e-5,0.001881577419843332,0.0151299196752067,0.02150566643107181,4.0512058510654595e-8,2.46820420319212e-6,"(4, 1)"
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+4,1,2000,9.70828137799034e-13,7.05966246572487e-11,3.783129332306764e-9,2.4682137024480134e-7,25.0627689321489,33.79873452833563,0.4998134042790083,3.843816366820153,8.489197453487004e-5,0.005543145048804399,8.484483828526083e-5,0.005543332911218049,0.0018780454150493255,0.0036716317278008954,8.261659446783949e-8,6.774932280814793e-6,"(4, 1)"
+4,1,4600,1.760159867448306e-12,1.2845728224186726e-10,2.4205605712982075e-9,8.971694996848245e-8,0.0003967565585359822,0.003420579626115242,4.320315456031409e-6,5.377571950488033e-6,0.05013393371210922,0.03521169090651908,3.940030985416631e-5,0.0019749142418558404,0.00579658437419767,0.013914492987979738,3.216850481434099e-7,2.7471250437438116e-6,"(4, 1)"
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+4,2,3700,1.5523090885663757e-12,1.154239712836125e-10,5.040555176755974e-9,7.237700444855112e-8,0.00990893799341118,0.014414751839653746,0.0223943529556338,0.012978664561115417,0.023186059209442018,0.013589559959973761,3.4636285084515245e-5,0.0015759131303134805,0.004210713580624119,0.008609545805335555,4.277829012986242e-8,1.9723549038971353e-6,"(4, 2)"
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+4,2,1400,7.032460726793069e-13,4.830353221574324e-11,3.0162722905217905e-9,2.1431210677359814e-7,0.6763131569843619,12.512891213527407,0.7774325774186596,12.22654848692067,6.761620802915286e-5,0.004805706073381718,6.768117079123022e-5,0.004821710195681545,0.002054887746934423,0.0017617516821856153,6.880292474642253e-8,5.892247371708732e-6,"(4, 2)"
+4,2,4500,1.7131525549494365e-12,1.2550351667639514e-10,2.1364801530423166e-9,8.754830243408451e-8,0.00014679634603763085,0.003127729770732831,8.322618382341016e-6,1.0106408292648166e-5,0.03644212926425718,0.02349961758490942,3.7074538128921514e-5,0.0019327181807268147,0.006568642972536394,0.014167576656905496,4.609485455129095e-8,2.5092667175921024e-6,"(4, 2)"
+4,2,2,4.803058854165063e-16,2.673028465238758e-14,1.3570074060305144e-9,9.634215918499779e-8,0.7059613228387192,49.83857632328812,0.7058772091844052,49.8266976608512,3.0350361756874652e-5,0.0021547555021873064,3.03503559254042e-5,0.002154754920322945,1.0214311072316129e-9,8.494885745960643e-10,2.6481273361775013e-8,2.644046186852006e-6,"(4, 2)"
+4,2,10,5.475844376546808e-15,3.6355925214781595e-13,1.383352846654649e-9,9.834401113233137e-8,0.7024308992368751,49.35109650035095,0.7021140647666495,49.30968911477551,3.094054934655812e-5,0.002199595834841591,3.0940061645991336e-5,0.002199561207981286,1.0980670919273002e-9,8.184199276057456e-10,2.7082836100037793e-8,2.699983870784828e-6,"(4, 2)"
+4,2,2100,1.0063678166745803e-12,7.337864468826005e-11,1.6411893804361621e-9,8.119185790252115e-8,0.4613367866958354,3.3056117375148992,0.5117181846397201,3.195971500010207,3.679639465043764e-5,0.0018330553413061859,3.6861989773567087e-5,0.0018402468424065918,0.0023553382681143794,0.0033882996634572206,4.9546441059993574e-8,2.238229050305448e-6,"(4, 2)"
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+4,3,4,1.910934070989353e-15,1.249522707524875e-13,4.072291786912013e-9,2.8912079311889383e-7,0.7047813207090692,49.67808150347326,0.7046399488498468,49.65652691133327,9.107942097861406e-5,0.006466369095569591,9.107936437177608e-5,0.0064663637212997276,1.5823038734975205e-10,2.21455860363402e-10,7.949841388984415e-8,7.935680797576599e-6,"(4, 3)"
+4,3,2900,1.2534178275449824e-12,9.417921831289533e-11,2.585476267046494e-9,1.6431050165494066e-7,0.422063678244859,0.7102814742382526,0.1229365788106149,0.3502100509747356,5.807594941765723e-5,0.0036961080703998062,5.810210128688181e-5,0.0036950833264016397,0.010975102162116453,0.008331752980519568,6.34782059710178e-8,4.5554141732120785e-6,"(4, 3)"
+4,3,1700,7.562781086986675e-13,5.4454285663974034e-11,3.872931128438334e-9,2.6205242133314763e-7,0.5744575959431913,7.309103327392931,0.648706039985545,7.13262978452273,8.679545827417441e-5,0.005875019602078989,8.68417964502859e-5,0.005888116276122204,0.0016260832283751293,0.001839179951094906,8.527856538104123e-8,7.209415136372969e-6,"(4, 3)"
+4,3,4000,1.6197326565203188e-12,1.2227153782518042e-10,1.3457149423161233e-9,8.267712042250852e-8,0.0007939416351393447,0.0042973628398284254,0.00034329562400439695,0.000365276917803372,0.0008565122742223093,0.0020905311755941174,2.9967940405709684e-5,0.0018580263523880864,0.005263752070562777,0.009374202803295097,3.783129689487916e-8,2.359357365853801e-6,"(4, 3)"
+4,3,4300,1.6979785679739161e-12,1.283127951112739e-10,2.428338731476138e-9,9.377468893463637e-8,0.00015404009671418615,0.0031881568442860574,3.3414255968072864e-5,3.8729483452807845e-5,0.008387105392449641,0.004892454458163015,3.871774747778351e-5,0.0020945808392048284,0.004240222117648132,0.0087025096167458,4.2921680559405357e-8,2.673394976606866e-6,"(4, 3)"
+4,3,4800,1.797142023522104e-12,1.362957574579937e-10,1.6422247809938372e-9,8.040575594968346e-8,0.00013199156513385996,0.002427917565761645,1.2343318758319654e-6,1.6368750039209846e-6,0.0018146066161169954,0.0028089465678508524,3.701444408745041e-5,0.0018015971599684483,0.026260042653335855,0.0220276972243786,3.980364961658231e-8,2.3397393882067594e-6,"(4, 3)"
+4,3,1600,7.164569558393919e-13,5.120884938314419e-11,3.645897867605724e-9,2.504779026566567e-7,0.8129791621997611,9.48525613266635,0.5609846229013454,7.94363334701951,8.170903589415889e-5,0.005615422134272406,8.176070355703388e-5,0.005629587248977777,0.0005845636494089051,0.0008102002494765958,8.099317029001994e-8,6.886458321678373e-6,"(4, 3)"
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diff --git a/barite/eval_barite.jl b/barite/eval_barite.jl
new file mode 100644
index 0000000..6a477b1
--- /dev/null
+++ b/barite/eval_barite.jl
@@ -0,0 +1,194 @@
+using DataFrames, RCall, Statistics, Plots, Base.Threads, CSV, CategoricalArrays
+
+prefix = "barite_fgcs"
+input_dir = "./"
+
+output_dir = "error_eval/"
+
+if !isdir(output_dir)
+        mkdir(output_dir)
+end
+
+relevant_header = ["H", "O", "Ba", "Cl", "S", "Sr", "Barite", "Celestite"]
+@rput relevant_header
+
+function alphas(obs::AbstractVector{<:Real}, pred::AbstractVector{<:Real})
+        # Workhorse function computing the "alphas" (cfr workflows/metrics)
+        # for relative error measures. We first compute the alphas, then take
+        # care of the +Inf, -Inf, NaN cases scanning the input vectors and
+        # substituting 0 and 1. NAs in the predictions are preserved
+
+        # create vector of length obs
+        alphas_result = zeros(length(obs))
+
+        for i in eachindex(obs, pred, alphas_result)
+                if isnan(obs[i]) && isnan(pred[i])
+                        # Preserve NaN in pred
+                        alphas_result[i] = NaN
+                elseif obs[i] == 0 && pred[i] == 0
+                        alphas_result[i] = 0
+                elseif obs[i] == 0 && pred[i] > 0
+                        alphas_result[i] = 1
+                elseif obs[i] == 0 && pred[i] < 0
+                        alphas_result[i] = -1
+                else
+                        alphas_result[i] = 1 - pred[i] / obs[i]
+                end
+        end
+
+        return alphas_result
+end
+
+function MAPE(obs::AbstractVector{<:Real}, pred::AbstractVector{<:Real})
+        # Compute the Mean Absolute Percentage Error (MAPE) between obs and pred
+        # MAPE is defined as the mean of the absolute values of the alphas
+        # (relative errors) times 100
+
+        alphas_result = alphas(obs, pred)
+
+        return 100 * mean(abs.(alphas_result[.!isnan.(alphas_result)]))
+end
+
+function RRMSE(obs::AbstractVector{<:Real}, pred::AbstractVector{<:Real})
+        # Compute the Relative Root Mean Squared Error (RRMSE) between obs and pred
+        # RRMSE is defined as the RMSE divided by the maximum of the observations
+
+        alphas_result = alphas(obs, pred)
+
+        return sqrt(mean(alphas_result[.!isnan.(alphas_result)] .^ 2))
+end
+
+
+function apply_functions_colwise(obs::DataFrame, interp::DataFrame)::DataFrame
+        res = DataFrame()
+
+        # Loop over all columns
+        for spec in relevant_header
+                real = obs[:, spec]
+                pred = interp[:, spec]
+
+                # Compute RRMSE and MAPE
+                rrmse = RRMSE(real, pred)
+                mape = MAPE(real, pred)
+
+                # Append the results to the new DataFrame
+                colname = string(spec, "_RRMSE")
+                res[:, colname] = [rrmse]
+
+                colname = string(spec, "_MAPE")
+                res[:, colname] = [mape]
+        end
+
+        return res
+end
+
+function get_all_qs_files(dir::String)::Vector{String}
+        files = readdir(dir, join=true)
+        files = filter(x -> occursin(r"iter_\d+.qs2", x), files)
+        return files[2:end]
+end
+
+function get_chemistry_data(files::Vector{String})::Dict{Int,DataFrame}
+        res = nothing
+
+        basenames = basename.(files)
+        basenames = replace.(basenames, ".qs2" => "")
+        its = split.(basenames, "_")
+        its = last.(its)
+
+        iterations = parse.(Int, its)
+
+        @rput files
+        R"res <- lapply(files, function(x) { dat <- qs2::qs_read(x)$C ; dat <- dat[,relevant_header] ; return(dat) })"
+        @rget res
+
+        data = Dict(zip(iterations, res))
+
+        return data
+end
+
+reference_dir = "$input_dir/barite_fgcs_ref_128_1/"
+reference_files = get_all_qs_files(reference_dir)
+reference_data = get_chemistry_data(reference_files)
+
+result_dirs = readdir(input_dir)
+df_global_data = DataFrame()
+
+for dir in result_dirs
+        # continue if dir contains "$prefix_ref" 
+        if occursin("$(prefix)_ref", dir) || !occursin(prefix, dir)
+                continue
+        end
+
+        metainfo = split(dir, "_")
+
+        has_important = length(metainfo) == 7
+
+        aqueous = parse(Int, metainfo[3])
+        minerals = parse(Int, metainfo[4])
+        ntpn = parse(Int, metainfo[5])
+
+        files = get_all_qs_files(joinpath(input_dir, dir))
+        data = get_chemistry_data(files)
+
+        for (iter, val) in data
+                realval = reference_data[iter]
+
+                df_local = apply_functions_colwise(realval, val)
+                df_local[:, "Aqueous"] .= aqueous
+                df_local[:, "Minerals"] .= minerals
+                df_local[:, "iter"] .= iter
+
+                global df_global_data = vcat(df_global_data, df_local)
+        end
+end
+
+function plot_by_iteration_and_rounding(df_in::DataFrame, species::String, errtype::String)
+        my_symbol = Symbol(species * "_" * errtype)
+
+        df = select(df_in, [:AM, :iter, my_symbol])
+
+        sort!(df, :iter)
+
+        max_iter = maximum(df.iter)
+        only_last_iter = filter(row -> row.iter == max_iter, df)
+        sort!(only_last_iter, my_symbol, rev=true)
+        df[!, :AM] = CategoricalArray(df[!, :AM])
+        levels!(df[!, :AM], only_last_iter[!, :AM])
+
+        AM_CA = CategoricalArray(only_last_iter.AM)
+        levels!(AM_CA, only_last_iter.AM)
+
+        # plot
+        p = plot(df.iter, df[!, my_symbol], group=df.AM,
+                xlabel="Iteration", ylabel=errtype, title="$(errtype) $(species) vs. Iteration",
+                minorgrid=true,
+                legend=:outerright,
+                #  yticks=[1e-7, 1e-6, 1e-5, 1e-4, 1e-3],
+                # ylim=(1e-7, 1e-3),
+                legendtitle="(Aqu, Min)",
+                legendcolumns=1,
+                legendfontsize=7,
+                legendtitlefontsize=7,)
+
+        return p
+end
+
+grouped_df = groupby(df_global_data, [:Aqueous, :Minerals, :iter])
+# Combine all columns by maximum
+combine_df = combine(grouped_df, names(df_global_data) .=> maximum .=> names(df_global_data))
+
+combine_df[!, :AM] = map(x -> "(" * string(x[1]) * ", " * string(x[2]) * ")",
+        zip(combine_df.Aqueous, combine_df.Minerals))
+
+CSV.write("$output_dir/eval_barite_aq_min_MAPE_RRMSE.csv", combine_df)
+
+p = plot_by_iteration_and_rounding(combine_df, "Barite", "MAPE")
+savefig(p, "$output_dir/MAPE_Barite.pdf")
+
+p = plot_by_iteration_and_rounding(combine_df, "Celestite", "MAPE")
+savefig(p, "$output_dir/MAPE_Celestite.pdf")
+
+p = plot_by_iteration_and_rounding(combine_df, "Ba", "MAPE")
+savefig(p, "$output_dir/MAPE_Ba.pdf")
+
diff --git a/eval_timings.jl b/eval_timings.jl
new file mode 100644
index 0000000..308abdd
--- /dev/null
+++ b/eval_timings.jl
@@ -0,0 +1,253 @@
+using DataFrames, RCall, Statistics, Plots, Base.Threads, CSV, CategoricalArrays
+
+prefix = "barite_fgcs"
+input_dir = "barite/"
+
+timing_file = "timings.qs2"
+ema_file = "ema.out.csv"
+
+relevant_timings = ["Chemistry", "Phreeqc", "PHT_read", "PHT_write", "DHT_gather", "Interpolation", "Energy"]
+
+grid_size = 400 * 400
+iterations = 5000
+calculations = grid_size * iterations
+
+output_dir = "timings"
+if !isdir(output_dir)
+        mkdir(output_dir)
+end
+
+function read_timings(timing_file)
+        res = nothing
+
+        @rput timing_file
+        R"res <- qs2::qs_read(timing_file)"
+        @rget res
+
+        return res
+end
+
+function read_ema(ema_file)
+        if (!isfile(ema_file))
+                return DataFrame()
+        end
+        return CSV.read(ema_file, DataFrame)
+end
+
+function eval_timings_interp(timings)
+        chemistry = timings[:chemistry]
+
+        time_vec = [chemistry[:simtime],
+                sum(chemistry[:phreeqc_time]),
+                sum(chemistry[:interp_w]),
+                sum(chemistry[:interp_r]),
+                sum(chemistry[:interp_g]),
+                sum(chemistry[:interp_fc])]
+
+        interp_df = DataFrame(Calls=chemistry[:interp_calls],
+                Cached=chemistry[:interp_cached])
+
+        return time_vec, interp_df
+end
+
+function eval_ema(ema_df)
+        if (nrow(ema_df) == 0)
+                return 0.0
+        end
+        only_package = filter(row -> occursin(r"package-\d+", row[:device_name]), ema_df)
+        return sum(only_package[!, :energy]) * 1e-6 * (1 / 3600)
+end
+
+function eval_timings_ref(timings)
+        chemistry = timings[:chemistry]
+
+        time_vec = [chemistry[:simtime],
+                sum(chemistry[:phreeqc_time]),
+                0, 0, 0, 0]
+
+        return time_vec
+end
+
+function find_all_directories(input_dir, prefix)
+        result_dirs = readdir(input_dir, join=true)
+
+        result_dirs = filter(x -> occursin(prefix, x), result_dirs)
+
+        return result_dirs
+end
+
+function workhorse_loop(dirs)
+        df_timings = DataFrame()
+        df_interp = Dict{Tuple{Int,Int},DataFrame}()
+
+        for dir in dirs
+
+                metainfo = split(basename(dir), "_")
+
+                type = nothing
+                aqueous = 0
+                minerals = 0
+
+                energy = eval_ema(read_ema(joinpath(dir, ema_file)))
+
+                if (metainfo[3] == "ref")
+                        type = "Reference"
+                        timings = read_timings(joinpath(dir, timing_file))
+                        time_vec = eval_timings_ref(timings)
+                else
+                        aqueous = parse(Int, metainfo[3])
+                        minerals = parse(Int, metainfo[4])
+                        type = "(" * string(aqueous) * "," * string(minerals) * ")"
+
+                        timings = read_timings(joinpath(dir, timing_file))
+                        time_vec, interp_df = eval_timings_interp(timings)
+
+                        df_interp[(aqueous, minerals)] = interp_df
+                end
+
+                push!(time_vec, energy)
+
+                new_df = DataFrame(relevant_timings .=> time_vec)
+                local_df = DataFrame(Type=type, Aqueous=aqueous, Minerals=minerals)
+                local_df = hcat(local_df, new_df)
+                append!(df_timings, local_df)
+        end
+
+        return df_timings, df_interp
+end
+
+function eval_additional_info(df, interp_dict, grid_size, iterations)
+        interp_full = Vector()
+
+        for row in eachrow(df)
+                if (row[:Type] != "Reference")
+                        interp_count = sum(interp_dict[(row[:Aqueous], row[:Minerals])][!, :Calls])
+                        push!(interp_full, interp_count)
+                else
+                        push!(interp_full, 0)
+                end
+        end
+
+        calculations = grid_size * iterations
+        phreeqc_calls = calculations .- interp_full
+
+        time_per_phreeqc = (df[!, :Phreeqc] ./ phreeqc_calls)
+
+        df = hcat(df, DataFrame(Phreeqc_calls=phreeqc_calls, Time_per_Phreeqc=time_per_phreeqc, Interp_calls=interp_full))
+
+        return df
+end
+
+function color_from_aqueous!(df)
+        my_colors = palette(:default)[1:4]
+
+        df[!, :Type] = CategoricalArray(df[!, :Type])
+
+        color_vec = Vector()
+
+        for row in eachrow(df)
+                if (row[:Type] == "Reference")
+                        push!(color_vec, my_colors[1])
+                else
+                        push!(color_vec, my_colors[row[:Aqueous]])
+                end
+        end
+
+        df[!, :Colors] = color_vec
+end
+
+dirs = find_all_directories("barite/", "barite_fgcs")
+
+df_timings, df_interp = workhorse_loop(dirs)
+group = groupby(df_timings, [:Type, :Aqueous, :Minerals])
+combine_df = combine(group,
+        relevant_timings .=> mean .=> relevant_timings,
+)
+
+df_timings = eval_additional_info(combine_df, df_interp, grid_size, iterations)
+CSV.write("$output_dir/timings_barite.csv", df_timings)
+
+for (key, value) in df_interp
+        CSV.write("$output_dir/interp_barite_$(key[1])_$(key[2]).csv", value)
+end
+
+color_from_aqueous!(df_timings)
+
+# plot with different colors and shapes in bars
+bar(df_timings[!, :Type],
+        df_timings[!, :Chemistry],
+        color=df_timings[!, :Colors],
+        xguidefontsize=8,
+        yguidefontsize=8,
+        xtickfontsize=6,
+        ytickfontsize=6,
+        legend=false,
+        ylabel="Time [s]",
+        xlabel="Simulation Type",
+        formatter=:plain,
+        yminorgrid=true,
+        ylimits=(0, 60000))
+savefig("$output_dir/timings_barite.pdf")
+
+bar(df_timings[!, :Type], df_timings[!, :Energy],
+        color=df_timings[!, :Colors],
+        xguidefontsize=8,
+        yguidefontsize=8,
+        xtickfontsize=6,
+        ytickfontsize=6,
+        legend=false,
+        formatter=:plain,
+        yminorgrid=true,
+        ylimits=(0, 12000),
+        yticks=[0, 2000, 4000, 6000, 8000, 10000, 12000],
+        yminorticks=4,
+        ylabel="Energy [Wh]", xlabel="Simulation Type")
+savefig("$output_dir/energy_barite.pdf")
+
+prefix = "dolo_inter"
+input_dir = "dolomite/"
+
+dirs = find_all_directories("dolomite/", "dolo_inter")
+
+df_timings, df_interp = workhorse_loop(dirs)
+group = groupby(df_timings, [:Type, :Aqueous, :Minerals])
+combine_df = combine(group,
+        relevant_timings .=> mean .=> relevant_timings,
+)
+
+df_timings = eval_additional_info(combine_df, df_interp, grid_size, iterations)
+CSV.write("$output_dir/timings_dolomite.csv", df_timings)
+
+for (key, value) in df_interp
+        CSV.write("$output_dir/interp_dolomite_$(key[1])_$(key[2]).csv", value)
+end
+
+color_from_aqueous!(df_timings)
+
+bar(df_timings[!, :Type], df_timings[!, :Chemistry],
+        color=df_timings[!, :Colors],
+        xguidefontsize=8,
+        yguidefontsize=8,
+        xtickfontsize=6,
+        ytickfontsize=6,
+        legend=false,
+        formatter=:plain,
+        yminorgrid=true,
+        ylim=(0, 15000),
+        yticks=0:2500:15000,
+        ylabel="Time [s]", xlabel="Type")
+savefig("$output_dir/timings_dolomite.pdf")
+
+bar(df_timings[!, :Type], df_timings[!, :Energy],
+        color=df_timings[!, :Colors],
+        xguidefontsize=8,
+        yguidefontsize=8,
+        xtickfontsize=6,
+        ytickfontsize=6,
+        legend=false,
+        formatter=:plain,
+        yminorgrid=true,
+        ylim=(0, 3000),
+        ylabel="Energy [Wh]", xlabel="Type")
+savefig("$output_dir/energy_dolomite.pdf")
+