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Merge pull request QMCPACK#4916 from camelto2/nxs_snl_machine_update
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nxs: SNL machine update
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@ye-luo
ye-luo committed Feb 7, 2024
2 parents a4705da + 0e069e1 commit e99431b
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Showing 2 changed files with 64 additions and 64 deletions.
2 changes: 1 addition & 1 deletion nexus/lib/machines.py
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Original file line number Diff line number Diff line change
Expand Up @@ -2775,7 +2775,7 @@ class SnlMachine(Supercomputer):

#for mpiexec
def post_process_job(self,job):
job.run_options.add(bindto="--bind-to core",npernode="--npernode {}".format(job.processes_per_node))
job.run_options.add(bindto="--bind-to none",npernode="--npernode {}".format(job.processes_per_node))

def write_job_header(self,job):
if job.queue is None:
Expand Down
126 changes: 63 additions & 63 deletions nexus/tests/unit/test_machines.py
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Original file line number Diff line number Diff line change
Expand Up @@ -1021,12 +1021,12 @@ def job_commands_equal(c1,c2):
#end def job_command_equal

job_run_ref = obj({
('amber' , 'n1' ) : 'mpiexec --bind-to core -n 112 --npernode 112 test.x',
('amber' , 'n1_p1' ) : 'mpiexec --bind-to core -n 1 --npernode 1 test.x',
('amber' , 'n2' ) : 'mpiexec --bind-to core -n 224 --npernode 112 test.x',
('amber' , 'n2_t2' ) : 'mpiexec --bind-to core -n 112 --npernode 56 test.x',
('amber' , 'n2_t2_e' ) : 'mpiexec --bind-to core -n 112 --npernode 56 test.x',
('amber' , 'n2_t2_p2' ) : 'mpiexec --bind-to core -n 4 --npernode 2 test.x',
('amber' , 'n1' ) : 'mpiexec --bind-to none -n 112 --npernode 112 test.x',
('amber' , 'n1_p1' ) : 'mpiexec --bind-to none -n 1 --npernode 1 test.x',
('amber' , 'n2' ) : 'mpiexec --bind-to none -n 224 --npernode 112 test.x',
('amber' , 'n2_t2' ) : 'mpiexec --bind-to none -n 112 --npernode 56 test.x',
('amber' , 'n2_t2_e' ) : 'mpiexec --bind-to none -n 112 --npernode 56 test.x',
('amber' , 'n2_t2_p2' ) : 'mpiexec --bind-to none -n 4 --npernode 2 test.x',
('amos' , 'n1' ) : 'srun test.x',
('amos' , 'n1_p1' ) : 'srun test.x',
('amos' , 'n2' ) : 'srun test.x',
Expand All @@ -1045,12 +1045,12 @@ def job_commands_equal(c1,c2):
('archer2' , 'n2_t2' ) : 'srun --distribution=block:block --hint=nomultithread -N 2 -c 2 -n 128 test.x',
('archer2' , 'n2_t2_e' ) : 'srun --distribution=block:block --hint=nomultithread -N 2 -c 2 -n 128 test.x',
('archer2' , 'n2_t2_p2' ) : 'srun --distribution=block:block --hint=nomultithread -N 2 -c 2 -n 4 test.x',
('attaway' , 'n1' ) : 'mpiexec --bind-to core -n 36 --npernode 36 test.x',
('attaway' , 'n1_p1' ) : 'mpiexec --bind-to core -n 1 --npernode 1 test.x',
('attaway' , 'n2' ) : 'mpiexec --bind-to core -n 72 --npernode 36 test.x',
('attaway' , 'n2_t2' ) : 'mpiexec --bind-to core -n 36 --npernode 18 test.x',
('attaway' , 'n2_t2_e' ) : 'mpiexec --bind-to core -n 36 --npernode 18 test.x',
('attaway' , 'n2_t2_p2' ) : 'mpiexec --bind-to core -n 4 --npernode 2 test.x',
('attaway' , 'n1' ) : 'mpiexec --bind-to none -n 36 --npernode 36 test.x',
('attaway' , 'n1_p1' ) : 'mpiexec --bind-to none -n 1 --npernode 1 test.x',
('attaway' , 'n2' ) : 'mpiexec --bind-to none -n 72 --npernode 36 test.x',
('attaway' , 'n2_t2' ) : 'mpiexec --bind-to none -n 36 --npernode 18 test.x',
('attaway' , 'n2_t2_e' ) : 'mpiexec --bind-to none -n 36 --npernode 18 test.x',
('attaway' , 'n2_t2_p2' ) : 'mpiexec --bind-to none -n 4 --npernode 2 test.x',
('bluewaters_xe' , 'n1' ) : 'aprun -n 32 test.x',
('bluewaters_xe' , 'n1_p1' ) : 'aprun -n 1 test.x',
('bluewaters_xe' , 'n2' ) : 'aprun -n 64 test.x',
Expand Down Expand Up @@ -1081,12 +1081,12 @@ def job_commands_equal(c1,c2):
('cetus' , 'n2_t2' ) : 'runjob --envs OMP_NUM_THREADS=2 --np 16 -p 8 --verbose=INFO $LOCARGS : test.x',
('cetus' , 'n2_t2_e' ) : 'runjob --envs OMP_NUM_THREADS=2 ENV_VAR=1 --np 16 -p 8 --verbose=INFO $LOCARGS : test.x',
('cetus' , 'n2_t2_p2' ) : 'runjob --envs OMP_NUM_THREADS=2 --np 4 -p 2 --verbose=INFO $LOCARGS : test.x',
('chama' , 'n1' ) : 'mpiexec --bind-to core -n 16 --npernode 16 test.x',
('chama' , 'n1_p1' ) : 'mpiexec --bind-to core -n 1 --npernode 1 test.x',
('chama' , 'n2' ) : 'mpiexec --bind-to core -n 32 --npernode 16 test.x',
('chama' , 'n2_t2' ) : 'mpiexec --bind-to core -n 16 --npernode 8 test.x',
('chama' , 'n2_t2_e' ) : 'mpiexec --bind-to core -n 16 --npernode 8 test.x',
('chama' , 'n2_t2_p2' ) : 'mpiexec --bind-to core -n 4 --npernode 2 test.x',
('chama' , 'n1' ) : 'mpiexec --bind-to none -n 16 --npernode 16 test.x',
('chama' , 'n1_p1' ) : 'mpiexec --bind-to none -n 1 --npernode 1 test.x',
('chama' , 'n2' ) : 'mpiexec --bind-to none -n 32 --npernode 16 test.x',
('chama' , 'n2_t2' ) : 'mpiexec --bind-to none -n 16 --npernode 8 test.x',
('chama' , 'n2_t2_e' ) : 'mpiexec --bind-to none -n 16 --npernode 8 test.x',
('chama' , 'n2_t2_p2' ) : 'mpiexec --bind-to none -n 4 --npernode 2 test.x',
('cooley' , 'n1' ) : 'mpirun -np 12 test.x',
('cooley' , 'n1_p1' ) : 'mpirun -np 1 test.x',
('cooley' , 'n2' ) : 'mpirun -np 24 test.x',
Expand All @@ -1099,24 +1099,24 @@ def job_commands_equal(c1,c2):
('cori' , 'n2_t2' ) : 'srun test.x',
('cori' , 'n2_t2_e' ) : 'srun test.x',
('cori' , 'n2_t2_p2' ) : 'srun test.x',
('eclipse' , 'n1' ) : 'mpiexec --bind-to core -n 36 --npernode 36 test.x',
('eclipse' , 'n1_p1' ) : 'mpiexec --bind-to core -n 1 --npernode 1 test.x',
('eclipse' , 'n2' ) : 'mpiexec --bind-to core -n 72 --npernode 36 test.x',
('eclipse' , 'n2_t2' ) : 'mpiexec --bind-to core -n 36 --npernode 18 test.x',
('eclipse' , 'n2_t2_e' ) : 'mpiexec --bind-to core -n 36 --npernode 18 test.x',
('eclipse' , 'n2_t2_p2' ) : 'mpiexec --bind-to core -n 4 --npernode 2 test.x',
('eclipse' , 'n1' ) : 'mpiexec --bind-to none -n 36 --npernode 36 test.x',
('eclipse' , 'n1_p1' ) : 'mpiexec --bind-to none -n 1 --npernode 1 test.x',
('eclipse' , 'n2' ) : 'mpiexec --bind-to none -n 72 --npernode 36 test.x',
('eclipse' , 'n2_t2' ) : 'mpiexec --bind-to none -n 36 --npernode 18 test.x',
('eclipse' , 'n2_t2_e' ) : 'mpiexec --bind-to none -n 36 --npernode 18 test.x',
('eclipse' , 'n2_t2_p2' ) : 'mpiexec --bind-to none -n 4 --npernode 2 test.x',
('eos' , 'n1' ) : 'aprun -n 16 test.x',
('eos' , 'n1_p1' ) : 'aprun -n 1 test.x',
('eos' , 'n2' ) : 'aprun -n 32 test.x',
('eos' , 'n2_t2' ) : 'aprun -ss -cc numa_node -d 2 -n 16 test.x',
('eos' , 'n2_t2_e' ) : 'aprun -ss -cc numa_node -d 2 -n 16 test.x',
('eos' , 'n2_t2_p2' ) : 'aprun -ss -cc numa_node -d 2 -n 4 test.x',
('ghost' , 'n1' ) : 'mpiexec --bind-to core -n 36 --npernode 36 test.x',
('ghost' , 'n1_p1' ) : 'mpiexec --bind-to core -n 1 --npernode 1 test.x',
('ghost' , 'n2' ) : 'mpiexec --bind-to core -n 72 --npernode 36 test.x',
('ghost' , 'n2_t2' ) : 'mpiexec --bind-to core -n 36 --npernode 18 test.x',
('ghost' , 'n2_t2_e' ) : 'mpiexec --bind-to core -n 36 --npernode 18 test.x',
('ghost' , 'n2_t2_p2' ) : 'mpiexec --bind-to core -n 4 --npernode 2 test.x',
('ghost' , 'n1' ) : 'mpiexec --bind-to none -n 36 --npernode 36 test.x',
('ghost' , 'n1_p1' ) : 'mpiexec --bind-to none -n 1 --npernode 1 test.x',
('ghost' , 'n2' ) : 'mpiexec --bind-to none -n 72 --npernode 36 test.x',
('ghost' , 'n2_t2' ) : 'mpiexec --bind-to none -n 36 --npernode 18 test.x',
('ghost' , 'n2_t2_e' ) : 'mpiexec --bind-to none -n 36 --npernode 18 test.x',
('ghost' , 'n2_t2_p2' ) : 'mpiexec --bind-to none -n 4 --npernode 2 test.x',
('jaguar' , 'n1' ) : 'aprun -n 16 test.x',
('jaguar' , 'n1_p1' ) : 'aprun -n 1 test.x',
('jaguar' , 'n2' ) : 'aprun -n 32 test.x',
Expand All @@ -1141,12 +1141,12 @@ def job_commands_equal(c1,c2):
('lonestar' , 'n2_t2' ) : 'ibrun -n 12 -o 0 test.x',
('lonestar' , 'n2_t2_e' ) : 'ibrun -n 12 -o 0 test.x',
('lonestar' , 'n2_t2_p2' ) : 'ibrun -n 4 -o 0 test.x',
('manzano' , 'n1' ) : 'mpiexec --bind-to core -n 48 --npernode 48 test.x',
('manzano' , 'n1_p1' ) : 'mpiexec --bind-to core -n 1 --npernode 1 test.x',
('manzano' , 'n2' ) : 'mpiexec --bind-to core -n 96 --npernode 48 test.x',
('manzano' , 'n2_t2' ) : 'mpiexec --bind-to core -n 48 --npernode 24 test.x',
('manzano' , 'n2_t2_e' ) : 'mpiexec --bind-to core -n 48 --npernode 24 test.x',
('manzano' , 'n2_t2_p2' ) : 'mpiexec --bind-to core -n 4 --npernode 2 test.x',
('manzano' , 'n1' ) : 'mpiexec --bind-to none -n 48 --npernode 48 test.x',
('manzano' , 'n1_p1' ) : 'mpiexec --bind-to none -n 1 --npernode 1 test.x',
('manzano' , 'n2' ) : 'mpiexec --bind-to none -n 96 --npernode 48 test.x',
('manzano' , 'n2_t2' ) : 'mpiexec --bind-to none -n 48 --npernode 24 test.x',
('manzano' , 'n2_t2_e' ) : 'mpiexec --bind-to none -n 48 --npernode 24 test.x',
('manzano' , 'n2_t2_p2' ) : 'mpiexec --bind-to none -n 4 --npernode 2 test.x',
('matisse' , 'n1' ) : 'mpirun -np 16 test.x',
('matisse' , 'n1_p1' ) : 'mpirun -np 1 test.x',
('matisse' , 'n2' ) : 'mpirun -np 32 test.x',
Expand Down Expand Up @@ -1183,18 +1183,18 @@ def job_commands_equal(c1,c2):
('rhea' , 'n2_t2' ) : 'srun -N 2 -n 16 -c 2 --cpu-bind=cores test.x',
('rhea' , 'n2_t2_e' ) : 'srun -N 2 -n 16 -c 2 --cpu-bind=cores test.x',
('rhea' , 'n2_t2_p2' ) : 'srun -N 2 -n 4 -c 2 --cpu-bind=cores test.x',
('skybridge' , 'n1' ) : 'mpiexec --bind-to core -n 16 --npernode 16 test.x',
('skybridge' , 'n1_p1' ) : 'mpiexec --bind-to core -n 1 --npernode 1 test.x',
('skybridge' , 'n2' ) : 'mpiexec --bind-to core -n 32 --npernode 16 test.x',
('skybridge' , 'n2_t2' ) : 'mpiexec --bind-to core -n 16 --npernode 8 test.x',
('skybridge' , 'n2_t2_e' ) : 'mpiexec --bind-to core -n 16 --npernode 8 test.x',
('skybridge' , 'n2_t2_p2' ) : 'mpiexec --bind-to core -n 4 --npernode 2 test.x',
('solo' , 'n1' ) : 'mpiexec --bind-to core -n 36 --npernode 36 test.x',
('solo' , 'n1_p1' ) : 'mpiexec --bind-to core -n 1 --npernode 1 test.x',
('solo' , 'n2' ) : 'mpiexec --bind-to core -n 72 --npernode 36 test.x',
('solo' , 'n2_t2' ) : 'mpiexec --bind-to core -n 36 --npernode 18 test.x',
('solo' , 'n2_t2_e' ) : 'mpiexec --bind-to core -n 36 --npernode 18 test.x',
('solo' , 'n2_t2_p2' ) : 'mpiexec --bind-to core -n 4 --npernode 2 test.x',
('skybridge' , 'n1' ) : 'mpiexec --bind-to none -n 16 --npernode 16 test.x',
('skybridge' , 'n1_p1' ) : 'mpiexec --bind-to none -n 1 --npernode 1 test.x',
('skybridge' , 'n2' ) : 'mpiexec --bind-to none -n 32 --npernode 16 test.x',
('skybridge' , 'n2_t2' ) : 'mpiexec --bind-to none -n 16 --npernode 8 test.x',
('skybridge' , 'n2_t2_e' ) : 'mpiexec --bind-to none -n 16 --npernode 8 test.x',
('skybridge' , 'n2_t2_p2' ) : 'mpiexec --bind-to none -n 4 --npernode 2 test.x',
('solo' , 'n1' ) : 'mpiexec --bind-to none -n 36 --npernode 36 test.x',
('solo' , 'n1_p1' ) : 'mpiexec --bind-to none -n 1 --npernode 1 test.x',
('solo' , 'n2' ) : 'mpiexec --bind-to none -n 72 --npernode 36 test.x',
('solo' , 'n2_t2' ) : 'mpiexec --bind-to none -n 36 --npernode 18 test.x',
('solo' , 'n2_t2_e' ) : 'mpiexec --bind-to none -n 36 --npernode 18 test.x',
('solo' , 'n2_t2_p2' ) : 'mpiexec --bind-to none -n 4 --npernode 2 test.x',
('stampede2' , 'n1' ) : 'ibrun -n 68 -o 0 test.x',
('stampede2' , 'n1_p1' ) : 'ibrun -n 1 -o 0 test.x',
('stampede2' , 'n2' ) : 'ibrun -n 136 -o 0 test.x',
Expand Down Expand Up @@ -1245,12 +1245,12 @@ def job_commands_equal(c1,c2):
('tomcat3' , 'n2_t2' ) : 'mpirun -np 64 test.x',
('tomcat3' , 'n2_t2_e' ) : 'mpirun -np 64 test.x',
('tomcat3' , 'n2_t2_p2' ) : 'mpirun -np 4 test.x',
('uno' , 'n1' ) : 'mpiexec --bind-to core -n 16 --npernode 16 test.x',
('uno' , 'n1_p1' ) : 'mpiexec --bind-to core -n 1 --npernode 1 test.x',
('uno' , 'n2' ) : 'mpiexec --bind-to core -n 32 --npernode 16 test.x',
('uno' , 'n2_t2' ) : 'mpiexec --bind-to core -n 16 --npernode 8 test.x',
('uno' , 'n2_t2_e' ) : 'mpiexec --bind-to core -n 16 --npernode 8 test.x',
('uno' , 'n2_t2_p2' ) : 'mpiexec --bind-to core -n 4 --npernode 2 test.x',
('uno' , 'n1' ) : 'mpiexec --bind-to none -n 16 --npernode 16 test.x',
('uno' , 'n1_p1' ) : 'mpiexec --bind-to none -n 1 --npernode 1 test.x',
('uno' , 'n2' ) : 'mpiexec --bind-to none -n 32 --npernode 16 test.x',
('uno' , 'n2_t2' ) : 'mpiexec --bind-to none -n 16 --npernode 8 test.x',
('uno' , 'n2_t2_e' ) : 'mpiexec --bind-to none -n 16 --npernode 8 test.x',
('uno' , 'n2_t2_p2' ) : 'mpiexec --bind-to none -n 4 --npernode 2 test.x',
('vesta' , 'n1' ) : 'runjob --envs OMP_NUM_THREADS=1 --np 16 -p 16 --verbose=INFO $LOCARGS : test.x',
('vesta' , 'n1_p1' ) : 'runjob --envs OMP_NUM_THREADS=1 --np 1 -p 1 --verbose=INFO $LOCARGS : test.x',
('vesta' , 'n2' ) : 'runjob --envs OMP_NUM_THREADS=1 --np 32 -p 16 --verbose=INFO $LOCARGS : test.x',
Expand Down Expand Up @@ -1398,7 +1398,7 @@ def test_write_job():
export ENV_VAR=1
export OMP_NUM_THREADS=1
mpiexec --bind-to core -n 224 --npernode 112 test.x''',
mpiexec --bind-to none -n 224 --npernode 112 test.x''',
amos = '''#!/bin/bash -x
#SBATCH --export=ALL
#SBATCH -J None
Expand Down Expand Up @@ -1463,7 +1463,7 @@ def test_write_job():
export ENV_VAR=1
export OMP_NUM_THREADS=1
mpiexec --bind-to core -n 72 --npernode 36 test.x''',
mpiexec --bind-to none -n 72 --npernode 36 test.x''',
bluewaters_xe = '''#!/bin/bash
#PBS -N jobname
#PBS -l walltime=06:30:00
Expand Down Expand Up @@ -1550,7 +1550,7 @@ def test_write_job():
export ENV_VAR=1
export OMP_NUM_THREADS=1
mpiexec --bind-to core -n 32 --npernode 16 test.x''',
mpiexec --bind-to none -n 32 --npernode 16 test.x''',
cooley = '''#!/bin/bash
#COBALT -q default
#COBALT -A ABC123
Expand Down Expand Up @@ -1591,7 +1591,7 @@ def test_write_job():
export ENV_VAR=1
export OMP_NUM_THREADS=1
mpiexec --bind-to core -n 72 --npernode 36 test.x''',
mpiexec --bind-to none -n 72 --npernode 36 test.x''',
eos = '''#!/bin/bash
#PBS -A ABC123
#PBS -q batch
Expand Down Expand Up @@ -1621,7 +1621,7 @@ def test_write_job():
export ENV_VAR=1
export OMP_NUM_THREADS=1
mpiexec --bind-to core -n 72 --npernode 36 test.x''',
mpiexec --bind-to none -n 72 --npernode 36 test.x''',
jaguar = '''#!/bin/bash
#PBS -A ABC123
#PBS -q batch
Expand Down Expand Up @@ -1702,7 +1702,7 @@ def test_write_job():
export ENV_VAR=1
export OMP_NUM_THREADS=1
mpiexec --bind-to core -n 96 --npernode 48 test.x''',
mpiexec --bind-to none -n 96 --npernode 48 test.x''',
matisse = '''#!/bin/bash -x
#SBATCH --export=ALL
#SBATCH -J None
Expand Down Expand Up @@ -1810,7 +1810,7 @@ def test_write_job():
export ENV_VAR=1
export OMP_NUM_THREADS=1
mpiexec --bind-to core -n 32 --npernode 16 test.x''',
mpiexec --bind-to none -n 32 --npernode 16 test.x''',
solo = '''#!/bin/bash
#SBATCH -p batch
#SBATCH --job-name jobname
Expand All @@ -1823,7 +1823,7 @@ def test_write_job():
export ENV_VAR=1
export OMP_NUM_THREADS=1
mpiexec --bind-to core -n 72 --npernode 36 test.x''',
mpiexec --bind-to none -n 72 --npernode 36 test.x''',
stampede2 = '''#!/bin/bash
#SBATCH --job-name jobname
#SBATCH --account=ABC123
Expand Down Expand Up @@ -1960,7 +1960,7 @@ def test_write_job():
export ENV_VAR=1
export OMP_NUM_THREADS=1
mpiexec --bind-to core -n 32 --npernode 16 test.x''',
mpiexec --bind-to none -n 32 --npernode 16 test.x''',
vesta = '''#!/bin/bash
#COBALT -q default
#COBALT -A ABC123
Expand Down

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