From 74f926a7fc4dd0eec541149f800a88d86000a6ee Mon Sep 17 00:00:00 2001 From: Ye Luo Date: Wed, 20 Sep 2017 16:37:31 -0500 Subject: [PATCH] Rename graphte perf test from C to C-graphite Also adjust VMC timestep to 1.0 --- tests/performance/{C => C-graphite}/C.BFD.xml | 0 .../{C => C-graphite}/CMakeLists.txt | 26 +++++++++---------- tests/performance/{C => C-graphite}/README | 4 ++- .../dmc-S256-cpu/C-graphite-S256-dmc.xml | 4 +-- .../dmc-S256-gpu/C-graphite-S256-dmc.xml | 4 +-- tests/performance/CMakeLists.txt | 2 +- 6 files changed, 21 insertions(+), 19 deletions(-) rename tests/performance/{C => C-graphite}/C.BFD.xml (100%) rename tests/performance/{C => C-graphite}/CMakeLists.txt (74%) rename tests/performance/{C => C-graphite}/README (93%) rename tests/performance/{C => C-graphite}/sample/dmc-S256-cpu/C-graphite-S256-dmc.xml (96%) rename tests/performance/{C => C-graphite}/sample/dmc-S256-gpu/C-graphite-S256-dmc.xml (96%) diff --git a/tests/performance/C/C.BFD.xml b/tests/performance/C-graphite/C.BFD.xml similarity index 100% rename from tests/performance/C/C.BFD.xml rename to tests/performance/C-graphite/C.BFD.xml diff --git a/tests/performance/C/CMakeLists.txt b/tests/performance/C-graphite/CMakeLists.txt similarity index 74% rename from tests/performance/C/CMakeLists.txt rename to tests/performance/C-graphite/CMakeLists.txt index 3cd21dc9e..4792152ac 100644 --- a/tests/performance/C/CMakeLists.txt +++ b/tests/performance/C-graphite/CMakeLists.txt @@ -1,20 +1,20 @@ -# C benchmark tests +# C-graphite benchmark tests # Input variables -# QMC_DATA - C subdirectory should contain the *.h5 files +# QMC_DATA - C-graphite subdirectory should contain the *.h5 files -FUNCTION(ADD_C_TEST TEST_NAME TEST_DIR INPUT_FILE H5_FILE) +FUNCTION(ADD_C_GRAPHITE_TEST TEST_NAME TEST_DIR INPUT_FILE H5_FILE) MESSAGE("Adding test ${TEST_NAME}") - SET (WDIR "${qmcpack_BINARY_DIR}/tests/performance/C/${TEST_DIR}") - SET (SDIR "${CMAKE_SOURCE_DIR}/tests/performance/C/sample/${TEST_DIR}") + SET (WDIR "${qmcpack_BINARY_DIR}/tests/performance/C-graphite/${TEST_DIR}") + SET (SDIR "${CMAKE_SOURCE_DIR}/tests/performance/C-graphite/sample/${TEST_DIR}") SET(QMC_APP "${qmcpack_BINARY_DIR}/bin/qmcpack") IF (ENABLE_TIMERS) SET(PERF_ARGS "--enable-timers=fine") ENDIF() - SET (PPDIR "${CMAKE_SOURCE_DIR}/tests/performance/C") + SET (PPDIR "${CMAKE_SOURCE_DIR}/tests/performance/C-graphite") EXECUTE_PROCESS(COMMAND ${CMAKE_COMMAND} -E copy_directory ${SDIR} ${WDIR}) @@ -24,7 +24,7 @@ FUNCTION(ADD_C_TEST TEST_NAME TEST_DIR INPUT_FILE H5_FILE) MAYBE_SYMLINK(${F} ${WDIR}/../${R}) ENDFOREACH() - MAYBE_SYMLINK("${QMC_DATA}/C/${H5_FILE}" "${WDIR}/../${H5_FILE}") + MAYBE_SYMLINK("${QMC_DATA}/C-graphite/${H5_FILE}" "${WDIR}/../${H5_FILE}") SET(PROCS 1) SET(THREADS 16) @@ -50,8 +50,8 @@ ENDFUNCTION() IF (NOT QMC_DATA) MESSAGE("QMC_DATA not set. Performance tests not added.") -ELSEIF(NOT EXISTS ${QMC_DATA}/C) - MESSAGE("C directory under QMC_DATA does not exist. C performance tests not added.") +ELSEIF(NOT EXISTS ${QMC_DATA}/C-graphite) + MESSAGE("C-graphite directory under QMC_DATA does not exist. C-graphite performance tests not added.") ELSE() # *.h5 files and md5 sums @@ -66,7 +66,7 @@ ELSE() LIST(REMOVE_ITEM C_SIZES ${SIZE}) ENDIF() ENDFOREACH() - MESSAGE("C sizes to benchmark: ${C_SIZES}") + MESSAGE("C-graphite sizes to benchmark: ${C_SIZES}") ENDIF() IF (QMC_CUDA) @@ -78,15 +78,15 @@ ELSE() FILE(COPY ${CMAKE_CURRENT_SOURCE_DIR}/../NiO/process_perf.py DESTINATION ${CMAKE_CURRENT_BINARY_DIR}) FOREACH(SIZE IN LISTS C_SIZES) - SET(PERF_TEST performance-C-${COMPUTE_TYPE}-S${SIZE}-1-16) + SET(PERF_TEST performance-C-graphite-${COMPUTE_TYPE}-S${SIZE}-1-16) SET(TEST_DIR dmc-S${SIZE}-${COMPUTE_TYPE}) SET(INPUT_FILE C-graphite-S${SIZE}-dmc.xml) # H5 filename is fixed consistent with CORAL name, but should be templated if a range of carbon sizes is added SET(H5_FILE lda.pwscf.h5) # SET(H5_FILE C-graphite-supertwist111-supershift000-S${SIZE}.h5) - SET(H5_FULL_PATH "${QMC_DATA}/C/${H5_FILE}") + SET(H5_FULL_PATH "${QMC_DATA}/C-graphite/${H5_FILE}") IF (EXISTS ${H5_FULL_PATH}) - ADD_C_TEST(${PERF_TEST} ${TEST_DIR} ${INPUT_FILE} ${H5_FILE}) + ADD_C_GRAPHITE_TEST(${PERF_TEST} ${TEST_DIR} ${INPUT_FILE} ${H5_FILE}) ELSE() MESSAGE("${PERF_TEST} not added because the corresponding h5 file not found: ${H5_FULL_PATH}") ENDIF() diff --git a/tests/performance/C/README b/tests/performance/C-graphite/README similarity index 93% rename from tests/performance/C/README rename to tests/performance/C-graphite/README index bf9d884d0..413740fd7 100644 --- a/tests/performance/C/README +++ b/tests/performance/C-graphite/README @@ -37,7 +37,7 @@ VMC with drift term included (iii) DMC with constant population. 3. Requirements -Download the necessary C h5 orbital file from the following link +Download the necessary C-graphite h5 orbital file from the following link https://anl.box.com/s/j5d6jeazpgx5441s04ajtv77iogoyjsh @@ -50,6 +50,8 @@ $ md5sum *.h5 $ ls -l *.h5 3187556652 lda.pwscf.h5 +The h5 file should be placed in a directory labeled C-graphite. + 4. Throughput metric 5. Benchmarking with ctest 6. Running the benchmarks manually diff --git a/tests/performance/C/sample/dmc-S256-cpu/C-graphite-S256-dmc.xml b/tests/performance/C-graphite/sample/dmc-S256-cpu/C-graphite-S256-dmc.xml similarity index 96% rename from tests/performance/C/sample/dmc-S256-cpu/C-graphite-S256-dmc.xml rename to tests/performance/C-graphite/sample/dmc-S256-cpu/C-graphite-S256-dmc.xml index 9e76b32f5..6020f7a4e 100644 --- a/tests/performance/C/sample/dmc-S256-cpu/C-graphite-S256-dmc.xml +++ b/tests/performance/C-graphite/sample/dmc-S256-cpu/C-graphite-S256-dmc.xml @@ -47,7 +47,7 @@ 5 16 2 - 2.0 + 1.0 no @@ -58,7 +58,7 @@ 5 16 2 - 2.0 + 1.0 yes diff --git a/tests/performance/C/sample/dmc-S256-gpu/C-graphite-S256-dmc.xml b/tests/performance/C-graphite/sample/dmc-S256-gpu/C-graphite-S256-dmc.xml similarity index 96% rename from tests/performance/C/sample/dmc-S256-gpu/C-graphite-S256-dmc.xml rename to tests/performance/C-graphite/sample/dmc-S256-gpu/C-graphite-S256-dmc.xml index e15df9a4f..58b8bbdc2 100644 --- a/tests/performance/C/sample/dmc-S256-gpu/C-graphite-S256-dmc.xml +++ b/tests/performance/C-graphite/sample/dmc-S256-gpu/C-graphite-S256-dmc.xml @@ -47,7 +47,7 @@ 5 16 2 - 2.0 + 1.0 no @@ -58,7 +58,7 @@ 5 16 2 - 2.0 + 1.0 yes diff --git a/tests/performance/CMakeLists.txt b/tests/performance/CMakeLists.txt index 6a23c5eb6..0e7b07f8b 100644 --- a/tests/performance/CMakeLists.txt +++ b/tests/performance/CMakeLists.txt @@ -4,5 +4,5 @@ message("Adding performance tests for QMCPACK") # includes -SUBDIRS(NiO C) +SUBDIRS(NiO C-graphite)