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Shorter diamondC_1x1x1 opt test.

This commit is contained in:
Ye Luo 2017-05-10 15:01:36 -05:00
parent 054512c1c7
commit 8d2941b0ea
2 changed files with 3 additions and 12 deletions
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13
tests/solids/diamondC_1x1x1_pp/qmc_short_opt.in.xml
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@ -81,23 +81,14 @@
</hamiltonian>
</qmcsystem>
<qmc method="vmc" move="pbyp" gpu="yes">
<parameter name="walkers" > 16 </parameter>
<parameter name="blocks" > 100 </parameter>
<parameter name="steps" > 40 </parameter>
<parameter name="subSteps" > 4 </parameter>
<parameter name="timestep" > 0.5 </parameter>
<parameter name="warmupSteps" > 50 </parameter>
<estimator name="LocalEnergy" hdf5="no"/>
</qmc>
<loop max="5">
<loop max="4">
<qmc method="linear" move="pbyp" checkpoint="-1" gpu="yes">
<parameter name="walkers" > 16 </parameter>
<parameter name="blocks" > 100 </parameter>
<!--parameter name="steps" > 40 </parameter-->
<parameter name="subSteps" > 2 </parameter>
<parameter name="timestep" > 0.5 </parameter>
<parameter name="warmupSteps" > 100 </parameter>
<parameter name="warmupSteps" > 50 </parameter>
<parameter name="useDrift" > no </parameter>
<estimator name="LocalEnergy" hdf5="no"/>
<parameter name="samples" > 128000 </parameter>

2
tests/system/CMakeLists.txt
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@ -353,7 +353,7 @@ ENDIF()
qmc_short_opt.in.xml
1 16
DIAMOND_OPT_SCALARS
5 # VMC
3 # VMC
TRUE)
# Reference DMC run in qmc-ref "-10.531583 0.000265"