Skip to content
Merged
Changes from all commits
Commits
File filter

Filter by extension

Filter by extension

Conversations
Failed to load comments.
Loading
Jump to
Jump to file
Failed to load files.
Loading
Diff view
Diff view
25 changes: 17 additions & 8 deletions cscs-checks/apps/gromacs/gromacs_check.py
Original file line number Diff line number Diff line change
Expand Up @@ -4,7 +4,6 @@
# SPDX-License-Identifier: BSD-3-Clause

import contextlib
import itertools
import os

import reframe as rfm
Expand Down Expand Up @@ -100,27 +99,37 @@ def __init__(self, scale, variant):
class GromacsCPUCheck(GromacsBaseCheck):
def __init__(self, scale, variant):
super().__init__('md.log')
self.valid_systems = ['daint:mc']
self.valid_systems = ['daint:mc', 'eiger:mc']
self.descr = 'GROMACS CPU check'
self.executable_opts = ['mdrun', '-dlb yes', '-ntomp 1', '-npme -1',
'-nb cpu', '-s herflat.tpr']

if scale == 'small':
self.valid_systems += ['dom:mc']
self.num_tasks = 216
self.num_tasks_per_node = 36
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']):
self.num_tasks = 768
self.num_tasks_per_node = 128
else:
self.num_tasks = 576
self.num_tasks_per_node = 36
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']):
self.num_tasks = 2048
self.num_tasks_per_node = 128

references = {
'prod': {
'small': {
'dom:mc': {'perf': (40.0, -0.05, None, 'ns/day')},
'daint:mc': {'perf': (38.8, -0.10, None, 'ns/day')}
'daint:mc': {'perf': (38.8, -0.10, None, 'ns/day')},
'eiger:mc': {'perf': (103.00, -0.10, None, 'ns/day')}
},
'large': {
'daint:mc': {'perf': (68.0, -0.20, None, 'ns/day')}
'daint:mc': {'perf': (68.0, -0.20, None, 'ns/day')},
'eiger:mc': {'perf': (146.00, -0.20, None, 'ns/day')}
}
},
}
Expand Down