mirror of https://github.com/QMCPACK/qmcpack.git
Replace --mixed_precision flag to --tol for check_trace.py
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@ -1274,9 +1274,9 @@ if __name__=='__main__':
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default='0',
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help='Exclude a number of DMC steps from being checked. This option is temporary and will be removed once a bug in the DMC weights for the first step is fixed (default=%default).'
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)
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parser.add_option('--mixed_precision',dest='mixed_precision',
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action='store_true',default='False',
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help='Increase tolerance for mixed precision test (default=%default).'
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parser.add_option('--tol',dest='tolerance',
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default='1e-8',
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help='Tolerance to check (default=%default).'
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)
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opt,paths = parser.parse_args()
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@ -1294,10 +1294,7 @@ if __name__=='__main__':
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sys.exit(0)
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#end if
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tol = 1e-8
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if options.mixed_precision:
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tol = 1e-6
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#end if
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tol = float(options.tolerance)
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if len(paths)==0:
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options.path = './'
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@ -891,7 +891,7 @@ ENDIF()
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"${CMAKE_SOURCE_DIR}/tests/solids/diamondC_1x1x1_pp"
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qmc_trace_scalars.in.xml
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1 1
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check_traces.py -p qmc_trace_scalars -s '0,1' -m 'vmc,dmc' --dmc_steps_exclude=1 --mixed_precision
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check_traces.py -p qmc_trace_scalars -s '0,1' -m 'vmc,dmc' --dmc_steps_exclude=1 --tol=1e-6
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)
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ELSE()
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SIMPLE_RUN_AND_CHECK(
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@ -910,7 +910,7 @@ ENDIF()
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"${CMAKE_SOURCE_DIR}/tests/solids/diamondC_1x1x1_pp"
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qmc_trace_scalars_selective.in.xml
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1 1
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check_traces.py -p qmc_trace_scalars_selective -s '0,1' -m 'vmc,dmc' -q 'Kinetic,ElecElec' --dmc_steps_exclude=1 --mixed_precision
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check_traces.py -p qmc_trace_scalars_selective -s '0,1' -m 'vmc,dmc' -q 'Kinetic,ElecElec' --dmc_steps_exclude=1 --tol=1e-6
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)
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ELSE()
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SIMPLE_RUN_AND_CHECK(
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