diff --git a/eessi/testsuite/tests/apps/gromacs.py b/eessi/testsuite/tests/apps/gromacs.py index 65ad14f2..fdbad731 100644 --- a/eessi/testsuite/tests/apps/gromacs.py +++ b/eessi/testsuite/tests/apps/gromacs.py @@ -52,8 +52,7 @@ class EESSI_GROMACS(EESSI_GROMACS_base, EESSI_Mixin): time_limit = '30m' module_name = parameter(find_modules('GROMACS')) bench_name_ci = 'HECBioSim/Crambin' - # measure_memory_usage = True - + def required_mem_per_node(self): return self.num_tasks_per_node * 1024 @@ -63,7 +62,10 @@ def __init__(self): @run_after('init') def set_compute_unit(self): - """Set the compute unit to which tasks will be assigned""" + """ + Set the compute unit to which tasks will be assigned: + one task per CPU core for CPU runs, and one task per GPU for GPU runs. + """ if self.device_type == DEVICE_TYPES['CPU']: self.compute_unit = COMPUTE_UNIT['CPU'] elif self.device_type == DEVICE_TYPES['GPU']: