Merge pull request #4598 from ichibha/develop

Nexus support for Kagayaki cluster at JAIST
QMCPACK · Jun 26, 2023 · a61a10f · a61a10f
2 parents a6a3275 + 95b86c1
commit a61a10f
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diff --git a/nexus/lib/machines.py b/nexus/lib/machines.py
@@ -3566,7 +3566,37 @@ def specialized_bundle_commands(self,job,launcher,serial):
     #end def specialized_bundle_commands
 #end class Polaris
 
+## Added 05/04/2023 by Tom Ichibha
+class Kagayaki(Supercomputer):
+    name = 'kagayaki'
+    requires_account = False
+    batch_capable    = True
+    special_bundling = False
+
+    def process_job_options(self,job):
+        # job.run_options.add(nodefile='-machinefile $PBS_NODEFILE', np='-np '+str(job.processes))
+        opt = obj(
+            nodefile='-machinefile $PBS_NODEFILE',
+            omp='-x OMP_NUM_THREADS',
+            np='-np {}'.format(job.processes),
+            )
+        job.run_options.add(**opt)
 
+    def write_job_header(self,job):
+        ppn = 16 if job.queue in ['Default', 'SINGLE', 'LONG', 'DEFAULT'] else 128
+        c=''
+        c+='#!/bin/bash\n'
+        if (job.queue is not None):
+            c+='#PBS -q ' + job.queue + '\n'
+        c+='#PBS -N ' + job.name + '\n'
+        c+='#PBS -o ' + job.outfile +'\n'
+        c+='#PBS -e ' + job.errfile + '\n'
+        c+='#PBS -l select={0}:ncpus={1}:mpiprocs={1}\n'.format(job.nodes, ppn)  
+        c+='cd $PBS_O_WORKDIR\n'
+        c+='export OMP_NUM_THREADS=' + str(job.threads) + '\n'
+        return c
+    #end def write_job_header                                                                       
+#end class CadesMoab
 
 
 #Known machines
@@ -3576,6 +3606,7 @@ def specialized_bundle_commands(self,job,launcher,serial):
 #end for
 #  supercomputers and clusters
 #            nodes sockets cores ram qslots  qlaunch  qsubmit     qstatus    qdelete
+Kagayaki(      240,   2,    64,  512,   20, 'mpirun',     'qsub',   'qstat',    'qdel')
 Jaguar(      18688,   2,     8,   32,  100,  'aprun',     'qsub',   'qstat',    'qdel')
 Kraken(       9408,   2,     6,   16,  100,  'aprun',     'qsub',   'qstat',    'qdel')
 Golub(          512,  2,     6,   32, 1000, 'mpirun',     'qsub',   'qstat',    'qdel')

diff --git a/nexus/tests/unit/test_machines.py b/nexus/tests/unit/test_machines.py
@@ -1239,6 +1239,12 @@ def job_commands_equal(c1,c2):
         ('vesta'          , 'n2_t2'         ) : 'runjob --envs OMP_NUM_THREADS=2 --np 16 -p 8 --verbose=INFO $LOCARGS : test.x',
         ('vesta'          , 'n2_t2_e'       ) : 'runjob --envs OMP_NUM_THREADS=2 ENV_VAR=1 --np 16 -p 8 --verbose=INFO $LOCARGS : test.x',
         ('vesta'          , 'n2_t2_p2'      ) : 'runjob --envs OMP_NUM_THREADS=2 --np 4 -p 2 --verbose=INFO $LOCARGS : test.x',
+        ('kagayaki'       , 'n1'            ) : 'mpirun -machinefile $PBS_NODEFILE -np 128 -x OMP_NUM_THREADS test.x',
+        ('kagayaki'       , 'n1_p1'         ) : 'mpirun -machinefile $PBS_NODEFILE -np 1 -x OMP_NUM_THREADS test.x',
+        ('kagayaki'       , 'n2'            ) : 'mpirun -machinefile $PBS_NODEFILE -np 256 -x OMP_NUM_THREADS test.x',
+        ('kagayaki'       , 'n2_t2'         ) : 'mpirun -machinefile $PBS_NODEFILE -np 128 -x OMP_NUM_THREADS test.x',
+        ('kagayaki'       , 'n2_t2_e'       ) : 'mpirun -machinefile $PBS_NODEFILE -np 128 -x OMP_NUM_THREADS test.x',
+        ('kagayaki'       , 'n2_t2_p2'      ) : 'mpirun -machinefile $PBS_NODEFILE -np 4 -x OMP_NUM_THREADS test.x',
         })
 
     if testing.global_data['job_ref_table']:
@@ -1916,6 +1922,16 @@ def test_write_job():
 
 
 runjob --np 32 -p 16 $LOCARGS --verbose=INFO --envs OMP_NUM_THREADS=1 ENV_VAR=1 : test.x''',
+        kagayaki = '''#!/bin/bash
+#PBS -N jobname
+#PBS -o test.out
+#PBS -e test.err
+#PBS -l select=2:ncpus=128:mpiprocs=128
+cd $PBS_O_WORKDIR
+
+export OMP_NUM_THREADS=1
+export ENV_VAR=1
+mpirun -machinefile $PBS_NODEFILE -np 256 -x OMP_NUM_THREADS test.x''',
         )
 
     def process_job_file(jf):