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Remove flux estimator from short tests

This commit is contained in:
Paul Kent 2017-06-11 14:26:32 -04:00
parent c79a2aedfd
commit c991e4cc98
1 changed files with 11 additions and 11 deletions
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22
tests/system/CMakeLists.txt
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@ -60,7 +60,7 @@ IF (NOT QMC_COMPLEX)
LIST(APPEND LIH_SCALARS "totenergy" "-7.9873236457 0.003") # total energy
LIST(APPEND LIH_SCALARS "eeenergy" "3.4888166386 0.0024") # e-e energy
LIST(APPEND LIH_SCALARS "samples" "1600000 0.0") # samples
LIST(APPEND LIH_SCALARS "flux" "0.0 0.1") # sampling check, should be zero
# LIST(APPEND LIH_SCALARS "flux" "0.0 0.1") # sampling check, should be zero
QMC_RUN_AND_CHECK(short-LiH_dimer_ae-vmc_hf_noj
"${CMAKE_SOURCE_DIR}/tests/molecules/LiH_dimer_ae"
@ -97,7 +97,7 @@ IF (NOT QMC_COMPLEX)
LIST(APPEND LIH_PP_SCALARS "eeenergy" "0.4814819907 0.00061")
LIST(APPEND LIH_PP_SCALARS "potential" "-1.3861755612 0.0013")
LIST(APPEND LIH_PP_SCALARS "samples" "1600000 0.0")
LIST(APPEND LIH_PP_SCALARS "flux" "0.0 0.0025")
# LIST(APPEND LIH_PP_SCALARS "flux" "0.0 0.0025")
QMC_RUN_AND_CHECK(short-LiH_dimer_pp-vmc_hf_noj
"${CMAKE_SOURCE_DIR}/tests/molecules/LiH_dimer_pp"
@ -175,7 +175,7 @@ ENDIF()
LIST(APPEND LIH_GAMMA_SCALARS "kinetic" "7.4145221704067854 0.024")
LIST(APPEND LIH_GAMMA_SCALARS "localecp" "-11.718808431876706 0.025")
LIST(APPEND LIH_GAMMA_SCALARS "samples" "1600000 0.0")
LIST(APPEND LIH_GAMMA_SCALARS "flux" "0.0 0.05")
# LIST(APPEND LIH_GAMMA_SCALARS "flux" "0.0 0.05")
QMC_RUN_AND_CHECK(short-LiH_solid_1x1x1_pp-gamma-vmc_hf_noj
"${CMAKE_SOURCE_DIR}/tests/solids/LiH_solid_1x1x1_pp"
@ -200,7 +200,7 @@ ENDIF()
LIST(APPEND LIH_X_SCALARS "kinetic" "7.3772282047321536 0.024")
LIST(APPEND LIH_X_SCALARS "localecp" "-11.414410381100344 0.025")
LIST(APPEND LIH_X_SCALARS "samples" "1600000 0.0")
LIST(APPEND LIH_X_SCALARS "flux" "0.0 0.05")
# LIST(APPEND LIH_X_SCALARS "flux" "0.0 0.05")
QMC_RUN_AND_CHECK(short-LiH_solid_1x1x1_pp-x-vmc_hf_noj
"${CMAKE_SOURCE_DIR}/tests/solids/LiH_solid_1x1x1_pp"
@ -216,7 +216,7 @@ ENDIF()
LIST(APPEND LIH_ARB_SCALARS "kinetic" "7.4201207734399359 0.024")
LIST(APPEND LIH_ARB_SCALARS "localecp" "-11.615276430529056 0.025")
LIST(APPEND LIH_ARB_SCALARS "samples" "1600000 0.0") # samples
LIST(APPEND LIH_ARB_SCALARS "flux" "0.0 0.05")
# LIST(APPEND LIH_ARB_SCALARS "flux" "0.0 0.05")
IF (QMC_COMPLEX)
SET(LIH_ARB_SUCCEED TRUE)
@ -316,7 +316,7 @@ ENDIF()
LIST(APPEND BCC_H_SCALARS "eeenergy" "-0.775870180954 0.003")
LIST(APPEND BCC_H_SCALARS "ionion" "-0.96289961022 0.001")
LIST(APPEND BCC_H_SCALARS "samples" "960000 0.0")
LIST(APPEND BCC_H_SCALARS "flux" "0.0 0.03")
# LIST(APPEND BCC_H_SCALARS "flux" "0.0 0.03")
QMC_RUN_AND_CHECK(short-bccH_1x1x1_ae-vmc_sdj
"${CMAKE_SOURCE_DIR}/tests/solids/bccH_1x1x1_ae"
@ -400,7 +400,7 @@ ENDIF()
# Reduced number of blocks and samples compared to other short bccH tests
LIST(APPEND BCC_H_PW_SCALARS "totenergy" "-1.834032 0.001")
LIST(APPEND BCC_H_PW_SCALARS "samples" "96000 0.0")
LIST(APPEND BCC_H_PW_SCALARS "flux" "0.0 0.1")
# LIST(APPEND BCC_H_PW_SCALARS "flux" "0.0 0.1")
IF(NOT QMC_CUDA)
# No GPU implementation. Would be fast if implemented
QMC_RUN_AND_CHECK(short-bccH_1x1x1_ae-vmc_sdj-pw
@ -421,7 +421,7 @@ ENDIF()
LIST(APPEND DIAMOND_SCALARS "localecp" "-7.046740 0.020")
LIST(APPEND DIAMOND_SCALARS "nonlocalecp" "0.597119 0.0056")
LIST(APPEND DIAMOND_SCALARS "samples" "128000 0.0")
LIST(APPEND DIAMOND_SCALARS "flux" "0.0 0.4")
# LIST(APPEND DIAMOND_SCALARS "flux" "0.0 0.4")
QMC_RUN_AND_CHECK(short-diamondC_1x1x1_pp-vmc_sdj
"${CMAKE_SOURCE_DIR}/tests/solids/diamondC_1x1x1_pp"
@ -490,7 +490,7 @@ ENDIF()
LIST(APPEND DIAMOND2_SCALARS "localecp" "-12.29402 0.051")
LIST(APPEND DIAMOND2_SCALARS "nonlocalecp" "1.540530 0.018")
LIST(APPEND DIAMOND2_SCALARS "samples" "32000 0.0")
LIST(APPEND DIAMOND2_SCALARS "flux" "0.0 0.7")
# LIST(APPEND DIAMOND2_SCALARS "flux" "0.0 0.7")
QMC_RUN_AND_CHECK(short-diamondC_2x1x1_pp-vmc_sdj
"${CMAKE_SOURCE_DIR}/tests/solids/diamondC_2x1x1_pp"
@ -515,7 +515,7 @@ ENDIF()
LIST(APPEND HCP_BE_SCALARS "totenergy" "-1.481656 0.0005")
LIST(APPEND HCP_BE_SCALARS "samples" "416000 0.0")
LIST(APPEND HCP_BE_SCALARS "flux" "0.0 0.003")
# LIST(APPEND HCP_BE_SCALARS "flux" "0.0 0.003")
QMC_RUN_AND_CHECK(short-hcpBe_1x1x1_pp-vmc_sdj
"${CMAKE_SOURCE_DIR}/tests/solids/hcpBe_1x1x1_pp"
@ -529,7 +529,7 @@ ENDIF()
LIST(APPEND MONO_O_SCALARS "totenergy" "-31.776596 0.006")
LIST(APPEND MONO_O_SCALARS "samples" "64000 0.0")
LIST(APPEND MONO_O_SCALARS "flux" "0.0 0.5")
# LIST(APPEND MONO_O_SCALARS "flux" "0.0 0.5")
QMC_RUN_AND_CHECK(short-monoO_1x1x1_pp-vmc_sdj
"${CMAKE_SOURCE_DIR}/tests/solids/monoO_1x1x1_pp"