Update input global directories and hardware configuration

alec-glisman · Mar 27, 2024 · 7a275cd · 7a275cd
1 parent 919c34b
commit 7a275cd
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Showing 4 changed files with 14 additions and 6 deletions.
diff --git a/submission/0init_6.sh b/submission/0init_6.sh
@@ -27,12 +27,16 @@ input_globals=()
 while IFS= read -r -d '' file; do
     input_globals+=("${file##*/}")
 done < <(find "${params_dir}" -type f -name "*.sh" -print0)
-echo "${input_globals[@]}"
 
 # sort input globals
 # shellcheck disable=SC2207
 IFS=$'\n' input_globals=($(sort <<<"${input_globals[*]}"))
 
+echo "INFO: Found ${#input_globals[@]} input global directories"
+for idx in "${!input_globals[@]}"; do
+    echo "DEBUG: ${idx}: ${input_globals[idx]}"
+done
+
 # start script
 date_time=$(date +"%Y-%m-%d %T")
 echo "START: ${date_time}"

diff --git a/submission/0init_7.sh b/submission/0init_7.sh
@@ -27,12 +27,16 @@ input_globals=()
 while IFS= read -r -d '' file; do
     input_globals+=("${file##*/}")
 done < <(find "${params_dir}" -type f -name "*.sh" -print0)
-echo "${input_globals[@]}"
 
 # sort input globals
 # shellcheck disable=SC2207
 IFS=$'\n' input_globals=($(sort <<<"${input_globals[*]}"))
 
+echo "INFO: Found ${#input_globals[@]} input global directories"
+for idx in "${!input_globals[@]}"; do
+    echo "DEBUG: ${idx}: ${input_globals[idx]}"
+done
+
 # start script
 date_time=$(date +"%Y-%m-%d %T")
 echo "START: ${date_time}"

diff --git a/submission/1eqbm_7.sh b/submission/1eqbm_7.sh
@@ -5,7 +5,7 @@
 
 # Slurm: Node configuration
 #SBATCH --partition=all --qos=dow --account=dow
-#SBATCH --nodes=1 --ntasks-per-node=8 --mem=4G
+#SBATCH --nodes=1 --ntasks-per-node=16 --mem=4G
 #SBATCH --gres=gpu:1 --gpu-bind=closest
 
 # Slurm: Runtime I/O

diff --git a/submission/input/7-vacuum-systems/4.0_16paa_0Ca_9nmcrystal.sh b/submission/input/7-vacuum-systems/4.0_16paa_0Ca_9nmcrystal.sh
@@ -8,9 +8,9 @@
 
 # Hardware ####################################################################
 
-export CPU_THREADS='1' # number of CPU threads to use (-1 = all available)
-export PIN_OFFSET='1'  # offset for CPU thread pinning (-1 = no offset)
-export GPU_IDS='1'     # GPU device(s) to use (0 = first GPU, 01 = first two GPUs)
+export CPU_THREADS='-1' # number of CPU threads to use (-1 = all available)
+export PIN_OFFSET='-1'  # offset for CPU thread pinning (-1 = no offset)
+export GPU_IDS='-1'     # GPU device(s) to use (0 = first GPU, 01 = first two GPUs)
 
 # System components ###########################################################