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[test] Update checks of supported applications on Pilatus #1829

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Merged
merged 9 commits into from
Mar 5, 2021
Merged

[test] Update checks of supported applications on Pilatus #1829

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515b5da
Update NAMD check for Pilatus
Mar 3, 2021
717df31
Update GROMACS check for Pilatus
Mar 3, 2021
8aa0171
QuantumESPRESSO check updated for Pilatus
Mar 4, 2021
f1f6792
GROMACS check updated for Pilatus
Mar 4, 2021
3a75ffd
LAMMPS check updated for Pilatus
Mar 4, 2021
5dc9998
CP2K check updated for Pilatus
Mar 4, 2021
d69d03d
Merge branch 'master' of github.com:eth-cscs/reframe into namd-pilatus
Mar 4, 2021
c2352b4
Adjust reference performance on Eiger and Pilatus
Mar 5, 2021
aee2765
Remove Line 102:14: W291 trailing whitespace for pep8speaks
Mar 5, 2021
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24 changes: 16 additions & 8 deletions cscs-checks/apps/cp2k/cp2k_check.py
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Original file line number Diff line number Diff line change
Expand Up @@ -9,7 +9,11 @@

class Cp2kCheck(rfm.RunOnlyRegressionTest):
def __init__(self):
self.valid_prog_environs = ['builtin']
if self.current_system.name == 'pilatus':
self.valid_prog_environs = ['cpeGNU']
else:
self.valid_prog_environs = ['builtin']

self.modules = ['CP2K']
self.executable = 'cp2k.psmp'
self.executable_opts = ['H2O-256.inp']
Expand Down Expand Up @@ -51,13 +55,13 @@ class Cp2kCpuCheck(Cp2kCheck):
def __init__(self, scale, variant):
super().__init__()
self.descr = 'CP2K CPU check (version: %s, %s)' % (scale, variant)
self.valid_systems = ['daint:mc', 'eiger:mc']
self.valid_systems = ['daint:mc', 'eiger:mc', 'pilatus:mc']
if scale == 'small':
self.valid_systems += ['dom:mc']
if self.current_system.name in ['daint', 'dom']:
self.num_tasks = 216
self.num_tasks_per_node = 36
elif self.current_system.name == 'eiger':
elif self.current_system.name in ['eiger', 'pilatus']:
self.num_tasks = 96
self.num_tasks_per_node = 16
self.num_cpus_per_task = 16
Expand All @@ -74,7 +78,7 @@ def __init__(self, scale, variant):
if self.current_system.name in ['daint', 'dom']:
self.num_tasks = 576
self.num_tasks_per_node = 36
elif self.current_system.name in ['eiger']:
elif self.current_system.name in ['eiger', 'pilatus']:
self.num_tasks = 256
self.num_tasks_per_node = 16
self.num_cpus_per_task = 16
Expand All @@ -92,22 +96,26 @@ def __init__(self, scale, variant):
'small': {
'dom:mc': {'time': (202.2, None, 0.05, 's')},
'daint:mc': {'time': (180.9, None, 0.08, 's')},
'eiger:mc': {'time': (70.0, None, 0.08, 's')}
'eiger:mc': {'time': (70.0, None, 0.08, 's')},
'pilatus:mc': {'time': (70.0, None, 0.08, 's')}
},
'large': {
'daint:mc': {'time': (141.0, None, 0.05, 's')},
'eiger:mc': {'time': (46.0, None, 0.05, 's')}
'eiger:mc': {'time': (46.0, None, 0.05, 's')},
'pilatus:mc': {'time': (46.0, None, 0.05, 's')}
}
},
'prod': {
'small': {
'dom:mc': {'time': (202.2, None, 0.05, 's')},
'daint:mc': {'time': (180.9, None, 0.08, 's')},
'eiger:mc': {'time': (70.0, None, 0.08, 's')}
'eiger:mc': {'time': (70.0, None, 0.08, 's')},
'pilatus:mc': {'time': (70.0, None, 0.08, 's')}
},
'large': {
'daint:mc': {'time': (113.0, None, 0.05, 's')},
'eiger:mc': {'time': (46.0, None, 0.05, 's')}
'eiger:mc': {'time': (46.0, None, 0.05, 's')},
'pilatus:mc': {'time': (46.0, None, 0.05, 's')}
}
}
}
Expand Down
18 changes: 12 additions & 6 deletions cscs-checks/apps/gromacs/gromacs_check.py
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Original file line number Diff line number Diff line change
Expand Up @@ -12,7 +12,11 @@

class GromacsBaseCheck(rfm.RunOnlyRegressionTest):
def __init__(self, output_file):
self.valid_prog_environs = ['builtin']
if self.current_system.name == 'pilatus':
self.valid_prog_environs = ['cpeGNU']
else:
self.valid_prog_environs = ['builtin']

self.executable = 'gmx_mpi'

# Reset sources dir relative to the SCS apps prefix
Expand Down Expand Up @@ -99,7 +103,7 @@ def __init__(self, scale, variant):
class GromacsCPUCheck(GromacsBaseCheck):
def __init__(self, scale, variant):
super().__init__('md.log')
self.valid_systems = ['daint:mc', 'eiger:mc']
self.valid_systems = ['daint:mc', 'eiger:mc', 'pilatus:mc']
self.descr = 'GROMACS CPU check'
self.executable_opts = ['mdrun', '-dlb yes', '-ntomp 1', '-npme -1',
'-nb cpu', '-s herflat.tpr']
Expand All @@ -109,14 +113,14 @@ def __init__(self, scale, variant):
if (self.current_system.name in ['daint', 'dom']):
self.num_tasks = 216
self.num_tasks_per_node = 36
elif (self.current_system.name in ['eiger']):
elif (self.current_system.name in ['eiger', 'pilatus']):
self.num_tasks = 768
self.num_tasks_per_node = 128
else:
if (self.current_system.name in ['daint', 'dom']):
self.num_tasks = 576
self.num_tasks_per_node = 36
elif (self.current_system.name in ['eiger']):
elif (self.current_system.name in ['eiger', 'pilatus']):
self.num_tasks = 2048
self.num_tasks_per_node = 128

Expand All @@ -125,11 +129,13 @@ def __init__(self, scale, variant):
'small': {
'dom:mc': {'perf': (40.0, -0.05, None, 'ns/day')},
'daint:mc': {'perf': (38.8, -0.10, None, 'ns/day')},
'eiger:mc': {'perf': (103.00, -0.10, None, 'ns/day')}
'eiger:mc': {'perf': (103.00, -0.10, None, 'ns/day')},
'pilatus:mc': {'perf': (103.00, -0.10, None, 'ns/day')}
},
'large': {
'daint:mc': {'perf': (68.0, -0.20, None, 'ns/day')},
'eiger:mc': {'perf': (146.00, -0.20, None, 'ns/day')}
'eiger:mc': {'perf': (146.00, -0.20, None, 'ns/day')},
'pilatus:mc': {'perf': (146.00, -0.20, None, 'ns/day')}
}
},
}
Expand Down
22 changes: 16 additions & 6 deletions cscs-checks/apps/lammps/lammps_check.py
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Original file line number Diff line number Diff line change
Expand Up @@ -11,7 +11,10 @@

class LAMMPSBaseCheck(rfm.RunOnlyRegressionTest):
def __init__(self):
self.valid_prog_environs = ['builtin']
if self.current_system.name == 'pilatus':
self.valid_prog_environs = ['cpeGNU']
else:
self.valid_prog_environs = ['builtin']
Comment on lines +16 to +17
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@ekouts ekouts Mar 5, 2021

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Suggested change
else:
self.valid_prog_environs = ['builtin']
else:
self.valid_prog_environs = ['builtin']

Please add an extra new line after the if statements

self.modules = ['LAMMPS']

# Reset sources dir relative to the SCS apps prefix
Expand Down Expand Up @@ -92,9 +95,14 @@ def __init__(self, scale, variant):
class LAMMPSCPUCheck(LAMMPSBaseCheck):
def __init__(self, scale, variant):
super().__init__()
self.valid_systems = ['daint:mc', 'eiger:mc']
self.executable = 'lmp_omp'
self.executable_opts = ['-sf omp', '-pk omp 1', '-in in.lj.cpu']
self.valid_systems = ['daint:mc', 'eiger:mc', 'pilatus:mc']
if self.current_system.name in ['eiger', 'pilatus']:
self.executable = 'lmp_mpi'
self.executable_opts = ['-in in.lj.cpu']
else:
self.executable = 'lmp_omp'
self.executable_opts = ['-sf omp', '-pk omp 1', '-in in.lj.cpu']

self.scale = scale
if scale == 'small':
self.valid_systems += ['dom:mc']
Expand All @@ -113,11 +121,13 @@ def __init__(self, scale, variant):
'small': {
'dom:mc': {'perf': (4394, -0.05, None, 'timesteps/s')},
'daint:mc': {'perf': (3824, -0.10, None, 'timesteps/s')},
'eiger:mc': {'perf': (5300, -0.05, None, 'timesteps/s')}
'eiger:mc': {'perf': (4500, -0.10, None, 'timesteps/s')},
'pilatus:mc': {'perf': (5000, -0.10, None, 'timesteps/s')}
},
'large': {
'daint:mc': {'perf': (5310, -0.65, None, 'timesteps/s')},
'eiger:mc': {'perf': (7100, -0.05, None, 'timesteps/s')}
'eiger:mc': {'perf': (6500, -0.10, None, 'timesteps/s')},
'pilatus:mc': {'perf': (7500, -0.10, None, 'timesteps/s')}
}
},
}
Expand Down
5 changes: 4 additions & 1 deletion cscs-checks/apps/namd/namd_check.py
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Original file line number Diff line number Diff line change
Expand Up @@ -12,7 +12,10 @@
class NamdBaseCheck(rfm.RunOnlyRegressionTest):
def __init__(self, arch, scale, variant):
self.descr = 'NAMD check (%s, %s)' % (arch, variant)
self.valid_prog_environs = ['builtin']
if self.current_system.name == 'pilatus':
self.valid_prog_environs = ['cpeIntel']
else:
self.valid_prog_environs = ['builtin']
Comment on lines +15 to +18
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@ekouts ekouts Mar 5, 2021

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Suggested change
if self.current_system.name == 'pilatus':
self.valid_prog_environs = ['cpeIntel']
else:
self.valid_prog_environs = ['builtin']
if self.current_system.name == 'pilatus':
self.valid_prog_environs = ['cpeIntel']
else:
self.valid_prog_environs = ['builtin']

Same here

self.modules = ['NAMD']

# Reset sources dir relative to the SCS apps prefix
Expand Down
24 changes: 16 additions & 8 deletions cscs-checks/apps/quantumespresso/quantumespresso_check.py
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Original file line number Diff line number Diff line change
Expand Up @@ -9,7 +9,11 @@

class QuantumESPRESSOCheck(rfm.RunOnlyRegressionTest):
def __init__(self):
self.valid_prog_environs = ['builtin']
if self.current_system.name == 'pilatus':
self.valid_prog_environs = ['cpeGNU']
else:
self.valid_prog_environs = ['builtin']

self.modules = ['QuantumESPRESSO']
self.executable = 'pw.x'
self.executable_opts = ['-in', 'ausurf.in']
Expand Down Expand Up @@ -40,14 +44,14 @@ class QuantumESPRESSOCpuCheck(QuantumESPRESSOCheck):
def __init__(self, scale, variant):
super().__init__()
self.descr = f'QuantumESPRESSO CPU check (version: {scale}, {variant})'
self.valid_systems = ['daint:mc', 'eiger:mc']
self.valid_systems = ['daint:mc', 'eiger:mc', 'pilatus:mc']
if scale == 'small':
self.valid_systems += ['dom:mc']
energy_reference = -11427.09017218
if self.current_system.name in ['daint', 'dom']:
self.num_tasks = 216
self.num_tasks_per_node = 36
elif self.current_system.name == 'eiger':
elif self.current_system.name in ['eiger', 'pilatus']:
self.num_tasks = 96
self.num_tasks_per_node = 16
self.num_cpus_per_task = 16
Expand All @@ -64,7 +68,7 @@ def __init__(self, scale, variant):
if self.current_system.name in ['daint']:
self.num_tasks = 576
self.num_tasks_per_node = 36
elif self.current_system.name in ['eiger']:
elif self.current_system.name in ['eiger', 'pilatus']:
self.num_tasks = 256
self.num_tasks_per_node = 16
self.num_cpus_per_task = 16
Expand Down Expand Up @@ -92,22 +96,26 @@ def __init__(self, scale, variant):
'small': {
'dom:mc': {'time': (115.0, None, 0.05, 's')},
'daint:mc': {'time': (115.0, None, 0.10, 's')},
'eiger:mc': {'time': (66.0, None, 0.10, 's')}
'eiger:mc': {'time': (66.0, None, 0.10, 's')},
'pilatus:mc': {'time': (66.0, None, 0.10, 's')}
},
'large': {
'daint:mc': {'time': (115.0, None, 0.10, 's')},
'eiger:mc': {'time': (53.0, None, 0.10, 's')}
'eiger:mc': {'time': (53.0, None, 0.10, 's')},
'pilatus:mc': {'time': (53.0, None, 0.10, 's')}
}
},
'prod': {
'small': {
'dom:mc': {'time': (115.0, None, 0.05, 's')},
'daint:mc': {'time': (115.0, None, 0.10, 's')},
'eiger:mc': {'time': (66.0, None, 0.10, 's')}
'eiger:mc': {'time': (66.0, None, 0.10, 's')},
'pilatus:mc': {'time': (66.0, None, 0.10, 's')}
},
'large': {
'daint:mc': {'time': (115.0, None, 0.10, 's')},
'eiger:mc': {'time': (53.0, None, 0.10, 's')}
'eiger:mc': {'time': (53.0, None, 0.10, 's')},
'pilatus:mc': {'time': (53.0, None, 0.10, 's')}
}
}
}
Expand Down