Alex reformat

LIS/ldt.submit

@@ -1,10 +1,10 @@
 #!/bin/bash
-#SBATCH --job-name=ldt_example
+#SBATCH --job-name=lis_ldt_example
 #SBATCH --ntasks=1
 #SBATCH --mem-per-cpu=8gb
 #SBATCH --time=00:15:00
-#SBATCH --error=ldt_job.%J.err
-#SBATCH --output=ldt_job.%J.out
+#SBATCH --error=lis_ldt_example.%J.err
+#SBATCH --output=lis_ldt_example.%J.out
 
 module purge
 module load compiler/intel/19 openmpi/4.0 LIS/7.3

LIS/lis.submit

@@ -1,10 +1,10 @@
 #!/bin/bash
-#SBATCH --job-name=lis_example
+#SBATCH --job-name=lis_lis_example
 #SBATCH --ntasks=8
 #SBATCH --mem-per-cpu=4gb
 #SBATCH --time=00:15:00
-#SBATCH --error=lis_job.%J.err
-#SBATCH --output=lis_job.%J.out
+#SBATCH --error=lis_lis_example.%J.err
+#SBATCH --output=lis_lis_example.%J.out
 
 module purge
 module load compiler/intel/19 openmpi/4.0 LIS/7.3

LIS/lvt.submit

@@ -1,10 +1,10 @@
 #!/bin/bash
-#SBATCH --job-name=lvt_example
+#SBATCH --job-name=lis_lvt_example
 #SBATCH --ntasks=1
 #SBATCH --mem-per-cpu=8gb
 #SBATCH --time=00:15:00
-#SBATCH --error=lvt_job.%J.err
-#SBATCH --output=lvt_job.%J.out
+#SBATCH --error=lis_lvt_example.%J.err
+#SBATCH --output=lis_lvt_example.%J.out
 
 module purge
 module load compiler/intel/19 openmpi/4.0 LIS/7.3

WRF/real.submit

@@ -3,8 +3,8 @@
 #SBATCH --ntasks=1
 #SBATCH --mem-per-cpu=8gb
 #SBATCH --time=00:15:00
-#SBATCH --error=wrf_real_job.%J.err
-#SBATCH --output=wrf_real_job.%J.out
+#SBATCH --error=wrf_real_example.%J.err
+#SBATCH --output=wrf_real_example.%J.out
 
 module purge
 module load compiler/pgi/20 openmpi/4.0 WRF/v4

WRF/wrf.submit

@@ -3,8 +3,8 @@
 #SBATCH --ntasks=8
 #SBATCH --mem-per-cpu=4gb
 #SBATCH --time=00:15:00
-#SBATCH --error=wrf_job.%J.err
-#SBATCH --output=wrf_job.%J.out
+#SBATCH --error=wrf_example.%J.err
+#SBATCH --output=wrf_example.%J.out
 
 module purge
 module load compiler/pgi/20 openmpi/4.0 WRF/v4

abaqus/2021/abaqus.submit

@@ -5,8 +5,8 @@
 #SBATCH --mem-per-cpu=2gb
 #SBATCH --time=01:00:00
 #SBATCH --job-name=abaqus_test
-#SBATCH --error=job.%J.err
-#SBATCH --output=job.%J.out
+#SBATCH --error=abaqus_test.%J.err
+#SBATCH --output=abaqus_test.%J.out
 
 if [[ "${SHELL}" =~ "tcsh" ]]
 then

abinit/abinit.submit

@@ -3,8 +3,8 @@
 #SBATCH --ntasks=4
 #SBATCH --mem-per-cpu=1G
 #SBATCH --time=00:05:00
-#SBATCH --error=abinit_job.%J.err
-#SBATCH --output=abinit_job.%J.out
+#SBATCH --error=abinit_example.%J.err
+#SBATCH --output=abinit_example.%J.out
 
 module purge
 module load compiler/gcc/10 openmpi/4.1 abinit/9.6

alphafold/2.0.0/alphafold_cpu.submit

@@ -1,11 +1,11 @@
 #!/bin/bash
-#SBATCH --job-name=AlphaFold_example
+#SBATCH --job-name=AlphaFold_200_CPU_example
 #SBATCH --nodes=1
 #SBATCH --ntasks-per-node=8
 #SBATCH --mem=50gb
 #SBATCH --time=168:00:00
-#SBATCH --error=AlphaFold.%J.err
-#SBATCH --output=AlphaFold.%J.out
+#SBATCH --error=AlphaFold_200_CPU_example.%J.err
+#SBATCH --output=AlphaFold_200_CPU_example.%J.out
 
 module purge
 module load apptainer

alphafold/2.0.0/alphafold_gpu.submit

@@ -1,13 +1,13 @@
 #!/bin/bash
-#SBATCH --job-name=AlphaFold_GPU_example
+#SBATCH --job-name=AlphaFold_200_GPU_example
 #SBATCH --nodes=1
 #SBATCH --ntasks-per-node=8
 #SBATCH --mem=50gb
 #SBATCH --time=168:00:00
 #SBATCH --partition=gpu
 #SBATCH --gres=gpu
-#SBATCH --error=AlphaFold_GPU.%J.err
-#SBATCH --output=AlphaFold_GPU.%J.out
+#SBATCH --error=AlphaFold_200_GPU_example.%J.err
+#SBATCH --output=AlphaFold_200_GPU_example.%J.out
 
 module purge
 module load apptainer

alphafold/2.2.0/alphafold_cpu.submit

@@ -1,11 +1,11 @@
 #!/bin/bash
-#SBATCH --job-name=AlphaFold_CPU_example
+#SBATCH --job-name=AlphaFold_220_CPU_example
 #SBATCH --nodes=1
 #SBATCH --ntasks-per-node=8
 #SBATCH --mem=50gb
 #SBATCH --time=168:00:00
-#SBATCH --error=AlphaFold_CPU.%J.err
-#SBATCH --output=AlphaFold_CPU.%J.out
+#SBATCH --error=AlphaFold_220_CPU_example.%J.err
+#SBATCH --output=AlphaFold_220_CPU_example.%J.out
 
 module purge
 module load apptainer

alphafold/2.2.0/alphafold_gpu_monomer.submit

@@ -1,13 +1,13 @@
 #!/bin/bash
-#SBATCH --job-name=AlphaFold_GPU_example
+#SBATCH --job-name=AlphaFold_220_GPU_monomer_example
 #SBATCH --nodes=1
 #SBATCH --ntasks-per-node=8
 #SBATCH --mem=50gb
 #SBATCH --time=168:00:00
 #SBATCH --partition=gpu
 #SBATCH --gres=gpu
-#SBATCH --error=AlphaFold_GPU.%J.err
-#SBATCH --output=AlphaFold_GPU.%J.out
+#SBATCH --error=AlphaFold_220_GPU_monomer_example.%J.err
+#SBATCH --output=AlphaFold_220_GPU_monomer_example.%J.out
 
 module purge
 module load apptainer

alphafold/2.2.0/alphafold_gpu_multimer.submit

@@ -1,13 +1,13 @@
 #!/bin/bash
-#SBATCH --job-name=AlphaFold_GPU_example
+#SBATCH --job-name=AlphaFold_220_GPU_multimer_example
 #SBATCH --nodes=1
 #SBATCH --ntasks-per-node=8
 #SBATCH --mem=50gb
 #SBATCH --time=168:00:00
 #SBATCH --partition=gpu
 #SBATCH --gres=gpu
-#SBATCH --error=AlphaFold_GPU.%J.err
-#SBATCH --output=AlphaFold_GPU.%J.out
+#SBATCH --error=AlphaFold_220_GPU_multimer_example.%J.err
+#SBATCH --output=AlphaFold_220_GPU_multimer_example.%J.out
 
 module purge
 module load apptainer

alphafold/2.2.0/alphafold_gpu_reduced_dbs.submit

@@ -1,13 +1,13 @@
 #!/bin/bash
-#SBATCH --job-name=AlphaFold_GPU_example
+#SBATCH --job-name=AlphaFold_220_GPU_rdbs_example
 #SBATCH --nodes=1
 #SBATCH --ntasks-per-node=8
 #SBATCH --mem=50gb
 #SBATCH --time=168:00:00
 #SBATCH --partition=gpu
 #SBATCH --gres=gpu
-#SBATCH --error=AlphaFold_GPU.%J.err
-#SBATCH --output=AlphaFold_GPU.%J.out
+#SBATCH --error=AlphaFold_220_GPU_rdbs_example.%J.err
+#SBATCH --output=AlphaFold_220_GPU_rdbs_example.%J.out
 
 module purge
 module load apptainer

alphafold/2.3.2/alphafold_cpu.submit

@@ -1,11 +1,11 @@
 #!/bin/bash
-#SBATCH --job-name=AlphaFold_CPU_example
+#SBATCH --job-name=AlphaFold_232_CPU_example
 #SBATCH --nodes=1
 #SBATCH --ntasks-per-node=8
 #SBATCH --mem=50gb
 #SBATCH --time=168:00:00
-#SBATCH --error=AlphaFold_CPU.%J.err
-#SBATCH --output=AlphaFold_CPU.%J.out
+#SBATCH --error=AlphaFold_232_CPU_example.%J.err
+#SBATCH --output=AlphaFold_232_CPU_example.%J.out
 
 module purge
 module load apptainer

alphafold/2.3.2/alphafold_gpu_monomer.submit

@@ -1,13 +1,13 @@
 #!/bin/bash
-#SBATCH --job-name=AlphaFold_GPU_example
+#SBATCH --job-name=AlphaFold_232_GPU_monomer_example
 #SBATCH --nodes=1
 #SBATCH --ntasks-per-node=8
 #SBATCH --mem=50gb
 #SBATCH --time=168:00:00
 #SBATCH --partition=gpu
 #SBATCH --gres=gpu
-#SBATCH --error=AlphaFold_GPU_monomer.%J.err
-#SBATCH --output=AlphaFold_GPU_monomer.%J.out
+#SBATCH --error=AlphaFold_232_GPU_monomer_example.%J.err
+#SBATCH --output=AlphaFold_232_GPU_monomer_example.%J.out
 
 module purge
 module load apptainer

alphafold/2.3.2/alphafold_gpu_multimer.submit

@@ -1,13 +1,13 @@
 #!/bin/bash
-#SBATCH --job-name=AlphaFold_GPU_example
+#SBATCH --job-name=AlphaFold_232_GPU_multimer_example
 #SBATCH --nodes=1
 #SBATCH --ntasks-per-node=8
 #SBATCH --mem=50gb
 #SBATCH --time=168:00:00
 #SBATCH --partition=gpu
 #SBATCH --gres=gpu
-#SBATCH --error=AlphaFold_GPU_multimer.%J.err
-#SBATCH --output=AlphaFold_GPU_multimer.%J.out
+#SBATCH --error=AlphaFold_232_GPU_multimer_example.%J.err
+#SBATCH --output=AlphaFold_232_GPU_multimer_example.%J.out
 
 module purge
 module load apptainer

alphafold/2.3.2/alphafold_gpu_reduced_dbs.submit

@@ -1,13 +1,13 @@
 #!/bin/bash
-#SBATCH --job-name=AlphaFold_GPU_example
+#SBATCH --job-name=AlphaFold_232_GPU_rdbs_example
 #SBATCH --nodes=1
 #SBATCH --ntasks-per-node=8
 #SBATCH --mem=50gb
 #SBATCH --time=168:00:00
 #SBATCH --partition=gpu
 #SBATCH --gres=gpu
-#SBATCH --error=AlphaFold_GPU_reduced.%J.err
-#SBATCH --output=AlphaFold_GPU_reduced.%J.out
+#SBATCH --error=AlphaFold_232_GPU_rdbs_example.%J.err
+#SBATCH --output=AlphaFold_232_GPU_rdbs_example.%J.out
 
 module purge
 module load apptainer

ambertools/22/ambertools_gpu.submit

@@ -1,10 +1,10 @@
 #!/bin/bash
-#SBATCH --job-name=AmberTools
+#SBATCH --job-name=AmberTools_22_GPU_example
 #SBATCH --ntasks=1
 #SBATCH --mem=5GB
 #SBATCH --time=01:00:00
-#SBATCH --error=ambertools_gpu_job.%J.err
-#SBATCH --output=ambertools_gpu_job.%J.out
+#SBATCH --error=AmberTools_22_GPU_example.%J.err
+#SBATCH --output=AmberTools_22_GPU_example.%J.out
 #SBATCH --partition=gpu
 #SBATCH --gres=gpu
 

ambertools/22/ambertools_mpi.submit

@@ -1,10 +1,10 @@
 #!/bin/bash
-#SBATCH --job-name=AmberTools
+#SBATCH --job-name=AmberTools_22_mpi_example
 #SBATCH --ntasks=16
 #SBATCH --mem=5GB
 #SBATCH --time=01:00:00
-#SBATCH --error=ambertools_mpi_job.%J.err
-#SBATCH --output=ambertools_mpi_job.%J.out
+#SBATCH --error=AmberTools_22_mpi_example.%J.err
+#SBATCH --output=AmberTools_22_mpi_example.%J.out
 
 module purge
 module load compiler/gcc/10 openmpi/4.1 ambertools/22

ambertools/23/ambertools_gpu.submit

@@ -1,10 +1,10 @@
 #!/bin/bash
-#SBATCH --job-name=AmberTools
+#SBATCH --job-name=AmberTools_23_GPU_example
 #SBATCH --ntasks=1
 #SBATCH --mem=10GB
 #SBATCH --time=10:00:00
-#SBATCH --error=ambertools_gpu_job.%J.err
-#SBATCH --output=ambertools_gpu_job.%J.out
+#SBATCH --error=AmberTools_23_GPU_example.%J.err
+#SBATCH --output=AmberTools_23_GPU_example.%J.out
 #SBATCH --partition=gpu
 #SBATCH --gres=gpu
 

apptainer/apptainer.submit

@@ -1,9 +1,9 @@
 #!/bin/bash
 #SBATCH --time=00:15:00
 #SBATCH --mem-per-cpu=4096
-#SBATCH --job-name=apptainer-test
-#SBATCH --error=apptainer.%J.err
-#SBATCH --output=apptainer.%J.out
+#SBATCH --job-name=apptainer_test
+#SBATCH --error=apptainer_test.%J.err
+#SBATCH --output=apptainer_test.%J.out
 
 module purge
 module load apptainer

ashs/1.0.0/ashs_parallel.submit

@@ -1,10 +1,12 @@
 #!/bin/bash
-#SBATCH --job-name=ashs
+#SBATCH --job-name=ashs_parallel_example
 #SBATCH --nodes=1
 #SBATCH --ntasks-per-node=8
 #SBATCH --time=168:00:00
 #SBATCH --mem=20gb
 #SBATCH --partition=batch
+#SBATCH --error=ashs_parallel_example.%J.err
+#SBATCH --output=ashs_parallel_example.%J.out
 
 module purge
 module load ashs/1.0

ashs/1.0.0/ashs_single.submit

@@ -1,10 +1,12 @@
 #!/bin/bash
-#SBATCH --job-name=ashs
+#SBATCH --job-name=ashs_single_example
 #SBATCH --nodes=1
 #SBATCH --ntasks-per-node=1
 #SBATCH --time=168:00:00
 #SBATCH --mem=20gb
 #SBATCH --partition=batch
+#SBATCH --error=ashs_single_example.%J.err
+#SBATCH --output=ashs_single_example.%J.out
 
 module purge
 module load ashs/1.0

blast/blast_aa_multi.submit

@@ -4,8 +4,8 @@
 #SBATCH --mem=5gb
 #SBATCH --time=00:10:00
 #SBATCH --job-name=blast_aa_multi
-#SBATCH --error=blast.aa.multi.%J.err
-#SBATCH --output=blast.aa.multi.%J.out
+#SBATCH --error=blast_aa_multi.%J.err
+#SBATCH --output=blast_aa_multi.%J.out
 
 module purge
 module load blast/2.15

blast/blast_nt_multi.submit

@@ -4,8 +4,8 @@
 #SBATCH --mem=5gb
 #SBATCH --time=01:00:00
 #SBATCH --job-name=blast_nt_multi
-#SBATCH --error=blast.nt.multi.%J.err
-#SBATCH --output=blast.nt.multi.%J.out
+#SBATCH --error=blast_nt_multi.%J.err
+#SBATCH --output=blast_nt_multi.%J.out
 
 module purge
 module load blast/2.15

blast/blast_nt_single.submit

@@ -4,8 +4,8 @@
 #SBATCH --mem=5gb
 #SBATCH --time=01:00:00
 #SBATCH --job-name=blast_nt_single
-#SBATCH --error=blast.nt.single.%J.err
-#SBATCH --output=blast.nt.single.%J.out
+#SBATCH --error=blast_nt_single.%J.err
+#SBATCH --output=blast_nt_single.%J.out
 
 module purge
 module load blast/2.15

blast/nucleotide/blast_nucleotide.submit

@@ -4,8 +4,8 @@
 #SBATCH --mem=1gb
 #SBATCH --time=00:15:00
 #SBATCH --job-name=blast_nucleotide
-#SBATCH --error=blast.%J.err
-#SBATCH --output=blast.%J.out
+#SBATCH --error=blast_nucleotide.%J.err
+#SBATCH --output=blast_nucleotide.%J.out
 #SBATCH --qos=short
 
 module load blast/2.2.29

blast/protein/blast_protein.submit

@@ -4,8 +4,8 @@
 #SBATCH --mem=1gb
 #SBATCH --time=00:15:00
 #SBATCH --job-name=blast_protein
-#SBATCH --error=blast.%J.err
-#SBATCH --output=blast.%J.out
+#SBATCH --error=blast_protein.%J.err
+#SBATCH --output=blast_protein.%J.out
 #SBATCH --qos=short
 
 module load blast/2.2.29

comsol/comsol.submit

@@ -3,8 +3,9 @@
 #SBATCH --ntasks-per-node=4
 #SBATCH --time=10:00:00
 #SBATCH --mem-per-cpu=4gb
-#SBATCH --error=comsol_job.%J.err
-#SBATCH --output=comsol_job.%J.out
+#SBATCH --job-name=comsol_example
+#SBATCH --error=comsol_example.%J.err
+#SBATCH --output=comsol_example.%J.out
 
 module load comsol
 comsol batch -inputfile effective_diffusivity.mph -outputfile effective_diffusivity_OUT.mph -np ${SLURM_NTASKS_PER_NODE}