diff --git a/.gitignore b/.gitignore index c122435fa..43e6498e4 100644 --- a/.gitignore +++ b/.gitignore @@ -155,6 +155,7 @@ include/ # But keep these specific files !bin/plot/ !bin/dolo_fgcs_3.qs2 +!bin/dolo_fgcs_3_rt.R !bin/dolo_fgcs_3.R !bin/dolo_fgcs_3.pqi !bin/phreeqc_kin.dat diff --git a/bin/dolo_fgcs_3_rt.R b/bin/dolo_fgcs_3_rt.R new file mode 100644 index 000000000..20ff5e991 --- /dev/null +++ b/bin/dolo_fgcs_3_rt.R @@ -0,0 +1,25 @@ +iterations <- 10000 +dt <- 200 +chkpt_interval <- 100 +ctrl_interval <- 100 +mape_threshold <- rep(0.0035, 13) +mape_threshold[5] <- 1 #Charge +zero_abs <- 1e-13 +rb_limit <- 3 +rb_interval_limit <- 100 +ctrl_cell_ids <- seq(0, (400*400)/2 - 1, by = 401) +#out_save <- seq(500, iterations, by = 500) +out_save = c(seq(1, 10), seq(10, 100, by= 10), seq(200, iterations, by=100)) + + +list( + timesteps = rep(dt, iterations), + store_result = TRUE, + out_save = out_save, + chkpt_interval = chkpt_interval, + ctrl_interval = ctrl_interval, + mape_threshold = mape_threshold, + zero_abs = zero_abs, + rb_limit = rb_limit, + rb_interval_limit = rb_interval_limit +) diff --git a/bin/run_poet.sh b/bin/run_poet.sh index fbd9004d2..a5fec3cf6 100644 --- a/bin/run_poet.sh +++ b/bin/run_poet.sh @@ -1,7 +1,7 @@ #!/bin/bash -#SBATCH --job-name=p2_eps01_no_skip -#SBATCH --output=p2_eps01_no_skip_%j.out -#SBATCH --error=p2_eps01_no_skip_%j.err +#SBATCH --job-name=p2_eps0035_v3 +#SBATCH --output=p2_eps0035_v3_%j.out +#SBATCH --error=p2_eps0035_v3_%j.err #SBATCH --partition=long #SBATCH --nodes=6 #SBATCH --ntasks-per-node=24 @@ -15,5 +15,5 @@ module purge module load cmake gcc openmpi #mpirun -n 144 ./poet dolo_fgcs_3.R dolo_fgcs_3.qs2 dolo_only_pqc -mpirun -n 144 ./poet --interp --rds dolo_fgcs_3_rt.R dolo_fgcs_3.qs2 p2_eps01_no_skip +mpirun -n 144 ./poet --interp --rds dolo_fgcs_3_rt.R dolo_fgcs_3.qs2 p2_eps0035_v3 #mpirun -n 144 ./poet --interp barite_fgcs_4_new/barite_fgcs_4_new_rt.R barite_fgcs_4_new/barite_fgcs_4_new.qs2 barite \ No newline at end of file