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608 Commits

Author SHA1 Message Date
Ye Luo 649a41ca53 Merge branch 'move-unit-tests' into cmake-try-out 2021-09-21 19:59:26 -05:00
Ye Luo a7196ec541 Remove CMake global output directories. 2021-09-21 19:51:56 -05:00
Ye Luo 6e8bbeb28e Move unit tests close to their testing target. 2021-09-21 14:12:26 -05:00
Ye Luo d5644510e5 Move config.h creation after git handling. 2021-09-02 09:06:01 -05:00
Paul Kent 0c29345af5 Fix a few typos + minor updates 2021-08-31 12:14:21 -04:00
Ye Luo 29773cfb61 Pass QMC_COMPLEX CMake value when compiling cu. 2021-08-29 21:20:54 -05:00
Ye Luo ca88e6bfbe Fix output directory. 2021-08-29 21:20:54 -05:00
Ye Luo fe02db2388 Update docs. 2021-08-29 21:20:54 -05:00
Ye Luo 2000424233 Final cleaning. 2021-08-29 21:20:54 -05:00
Ye Luo 5721711dfa Remove QMC_VERBOSE_CONFIGURATION. 2021-08-29 21:20:54 -05:00
Ye Luo f5ea93ab42 Remove AMD ACML. 2021-08-29 21:20:54 -05:00
Ye Luo 4774dea16f Second round of reordering. 2021-08-29 21:20:54 -05:00
Ye Luo a4235da105 First reorder CMake. 2021-08-29 21:20:54 -05:00
Ye Luo 2b956798e6 Fix CMake for AFQMC HIP 2021-08-25 21:53:18 -05:00
Ye Luo 8998906922 Downgrade Summit toolchain to cuda 10.1.243 2021-08-24 10:22:29 -05:00
Peter Doak cb8b177a93 added some doc to bump tests 2021-08-20 11:15:21 -04:00
Ye Luo da9e4f148e Document QMC_MATH_VENDOR 2021-08-13 13:04:54 -05:00
Ye Luo b5cccff4b2 Separate FindMKLVM from FindMKL 2021-08-13 11:55:21 -05:00
Ye Luo 6adb584388 Introduce CMake/FindAMDLibM.cmake 2021-08-13 01:14:13 -05:00
Peter Doak 0a12b196ae simplified check 2021-08-06 17:25:49 -04:00
Peter Doak ad060ce4be the easy part 2021-08-06 17:14:35 -04:00
Jakub Kurzak 8fe3a2fef1 Correctly handle NULL pivot in getr[f|i]Batched 2021-08-04 14:05:25 -04:00
Ye Luo 5f9e26e136 Separate oneAPI compiler from Clang settings. 2021-07-19 18:25:27 -05:00
Paul R. C. Kent 8cc774b09b
Mention CMake 2021-07-06 12:07:05 -04:00
Ye Luo 66afad4dbd Update cached variable message. 2021-07-06 10:16:41 -05:00
Ye Luo 07911435b4 Make MPI_CXX_SKIP_MPICXX cached. 2021-07-06 09:15:24 -05:00
Ye Luo d39f24b7c9 Add a search path for ROCM library CMake configs. 2021-06-29 01:43:16 -05:00
Ye Luo 922e11ccd6 Minor change in HIP. 2021-06-29 00:00:04 -05:00
Ye Luo d9e8e3556f Use hip/rocm CMake targets. 2021-06-08 23:45:02 -05:00
Ye Luo d095727a58 format CMake files. 
find -name "CMakeLists.txt" -exec cmake-format -i {} \;
find -name "*.cmake" -exec cmake-format -i {} \;
git checkout external_codes
 2021-06-07 12:46:46 -05:00
Ye Luo c88e7a5fce cmake change subdirs to add_subdirectory 2021-06-07 12:46:46 -05:00
Jakub Kurzak 1da848f377 Merge branch 'QMCPACK:develop' into develop 2021-05-27 13:28:05 -04:00
Peter Doak 4577e6eeb0 remove unecessary cmake file, document most benchmarks off 2021-05-25 19:04:23 -04:00
Peter Doak d36d0cdc08 useful set of benchmarks 
fix to benchmark for DiracMatrixComputeCUDA for ENABLE_OFFLOAD=0

make micro benchmark build optional

fixed build issue caused by rebase

somewhat better way to deal with catch's benchmark define

remove obsolete docs
 2021-05-21 16:18:01 -04:00
Jakub Kurzak d657da3688 Set up a cached variable HIP_ARCH and default to gfx906,gfx908 2021-05-19 10:07:44 -04:00
Jakub Kurzak eee14dc6bd Improve CMake for QMC_CUDA2HIP 2021-05-19 09:06:12 -04:00
Jakub Kurzak 4aa6be2b07 Merge branch 'QMCPACK:develop' into develop 2021-05-19 07:19:12 -04:00
Paul Kent cd3d420969 Unused library checks 2021-05-17 21:46:56 -04:00
Paul Kent 807e4bc915 Remove unused 2021-05-17 21:17:48 -04:00
Jakub Kurzak 708dc0315b Apply touch ups to the HIP section of CMakeLists.txt 2021-05-12 21:49:09 -04:00
Jakub Kurzak 6db56b3981 Fix compilation issues with MPI 2021-05-12 10:02:51 -04:00
Jakub Kurzak d37aa01e52 Support translation of legacy CUDA to HIP in CMake 2021-05-11 15:11:25 -04:00
Paul Kent 61a6f09fc7 Wording 2021-04-27 12:23:27 -04:00
Ye Luo 0c666c5f04
Merge branch 'develop' into introduce-ENABLE_OMP_TASKLOOP 2021-04-26 16:59:51 -05:00
Ye Luo 85b5874413 Test OpenMP taskloop. 2021-04-26 12:46:03 -05:00
Steven Hahn 940cf46af3 Remove CMAKE_SOURCE_DIR 
Signed-off-by: Steven Hahn <hahnse@ornl.gov>
 2021-04-26 13:06:00 -04:00
Ye Luo 8ca8b6ca3d Introduce ENABLE_OMP_TASKLOOP for NVHPC 21.3. 2021-04-25 23:54:52 -05:00
Ye Luo 5eaeae6391 More clear message. 2021-04-20 13:30:29 -05:00
Ye Luo c9ae2be701 Add C CXX compiler mismatch check. 2021-04-20 13:26:00 -05:00
Ye Luo 8717a714c3 Use CMake project version. 2021-04-20 13:25:27 -05:00
Steven Hahn 791254ffb1 Require CMake 3.14 
Signed-off-by: Steven Hahn <hahnse@ornl.gov>
 2021-04-13 10:10:50 -04:00
Paul R. C. Kent 5acf9fefd0
Set patch version to .9 2021-04-09 10:24:58 -04:00
Paul Kent c2b69a7272 Increase version number, update release notes for v3.11.0 2021-04-08 16:06:23 -04:00
Ye Luo 2cebc565ea Add NVHPC and IntelLLVM compiler ID. 2021-04-02 11:50:21 -05:00
William F Godoy 54d3962cc7 Address review comments 
Make sanitizer options lower case: none, asan, ubsan, tsan, msan
Check if sanitizer option is not valid
Remove debug mode restriction for asan
Run in RelWithDebInfo mode in GitHub Actions CI
Clean up previous LLVM sanitizers implementation
 2021-03-24 16:23:46 -04:00
William F Godoy 209a698e91 Set recommended MPI compiler flags 
To not overwrite CC and CXX for clang
 2021-03-24 16:23:46 -04:00
William F Godoy d786aad520 Set ENABLE_SANITIZER option for mutually exclusive sanitizers 
ASAN, MSAN, TSAN UBSAN
ASAN only works in debug mode
Add LSAN suppression file (included in ASAN) requires setting
LSAN_OPTIONS=suppressions=file/location/lsan.supp
 2021-03-24 16:23:46 -04:00
Ye Luo f47840e2ae CMake cleaning. 2021-03-21 12:46:05 -05:00
Ye Luo 9487ffd81c
Merge branch 'develop' into move-alignment-to-cmake 2021-03-05 08:44:01 -06:00
Ye Luo c064667d94 Rename QMC_CLINE to QMC_SIMD_ALIGNMENT. 2021-03-05 00:03:56 -06:00
Ye Luo a0fac8ffe9 Correct freemem calls after #2945 change. 2021-03-04 10:52:21 -06:00
Ye Luo 0ad4e20159 Add CheckSIMDAlignement in CMake. 2021-03-03 22:31:06 -05:00
Ye Luo bd2e49e3ae Move QMC_CLINE to CMake. 2021-03-03 11:10:14 -06:00
Paul Kent 156a26e0f8 Cmake gardening 2021-03-01 17:35:21 -05:00
Paul Kent c76676542e Improve QE detection 2021-03-01 16:11:13 -05:00
Mark Dewing 6bb41444ee Fix USE_NVTX_API option 
The CMAKE_DEPENDENT_OPTION macro tokenizes the conditional on spaces, which is
different than how the IF statement tokenizes. In order to handle
parentheses correctly, there must be space between the parenthesis and adjacent text.

That argument joins list elements in an implicit-AND, so it could also
be written as "ENABLE_TIMERS;QMC_CUDA OR ENABLE_CUDA" and avoid
parentheses altogether.

For more discussion, see
https://discourse.cmake.org/t/cmake-dependent-option-with-complex-conditionals/2793
 2021-02-23 10:05:41 -06:00
Paul Kent 589d2a7ed3 Reduce soa references 2021-02-16 10:44:45 -05:00
Ye Luo c41b5e7856 Fix cmake. 2020-12-19 21:17:58 -06:00
Ye Luo 99257d9007 Update VTune handling in cmake. 2020-12-19 15:42:18 -06:00
Ye Luo 696a169481 Print python actions in cmake when verbose printing is requested. 2020-12-11 14:51:43 -06:00
Paul R. C. Kent 3d4d349a49
Stronger warning message 2020-11-13 11:36:58 -05:00
Ye Luo 89f5af7913 Minor fix. 2020-11-13 10:22:13 -06:00
Ye Luo 4ef4186408 Revert to C++14. 2020-11-13 00:33:00 -06:00
Ye Luo 7a74902e1d Add C++17 standard library check. 2020-11-12 15:40:24 -06:00
mmorale3 12725377de
Merge branch 'develop' into cxx17-by-default 2020-11-12 10:04:53 -08:00
Ye Luo b80b9dd774 Use C++17 2020-11-11 23:31:13 -06:00
Mark Dewing c6cd1e3f7e Add NVTX calls for timers 
Use NVTX calls to allow timer regions to show up on NVidia profiling
tools.
These also work with OpenMP offload.  The CMakeLists.txt file has been
updated to allow USE_NVTX_API with ENABLE_OFFLOAD.  This may require
CUDA_TOOLKIT_ROOT_DIR to be specified when running cmake.
 2020-11-11 17:17:05 -06:00
Paul R. C. Kent 5632412374
Update patch number following release 2020-11-10 17:59:15 -05:00
Paul Kent 6b90043f04 Increase version number, update release notes for 3.10.0 2020-11-10 14:47:46 -05:00
Ye Luo 961e1568c9 Require 3.14 if USE_OBJECT_TARGET is in use. 2020-11-04 19:45:18 -06:00
Ye Luo 296c09d1ee Raise cmake minimum to 3.12 2020-11-04 19:45:11 -06:00
Ye Luo d3c1cef7d7 Use serial MKL with non Intel compiler by default. 2020-10-30 23:00:04 -05:00
Ye Luo 586105201d More cached bool to OPTION. 2020-10-27 22:05:46 -05:00
Ye Luo b3ebc3a74a Simplify MKL header detection. 2020-10-27 19:43:12 -05:00
Ye Luo 3184605c01 Make MKL detection robust. 2020-10-27 19:17:18 -05:00
Ye Luo b1fada428b No need of ENABLE_MKL 2020-10-27 02:25:14 -05:00
Ye Luo 69ce87fd7f Remove cray-libsci treatment. 2020-10-18 16:46:53 -05:00
Peter Doak daf2082a1d Merge branch 'develop' into dmc_population_cont 2020-09-22 17:03:35 -04:00
Peter Doak 080927b178 cleanup, documentation and limiting of certain checks to develop time 2020-09-21 20:37:08 -04:00
Fionn Malone 263062a71b Link to amdhip64. 2020-09-21 16:36:00 -07:00
Fionn Malone 3f87c96454 Remove -lhip_hcc from CMakeLists for rocm/3.7.0 2020-09-18 15:09:01 -07:00
Fionn Malone 53adcfeb1b Remove __HIP_PLATFORM_HCC__ from CMakeLists 
Causes warnings with hipcc as being redefined.
 2020-09-18 15:04:52 -07:00
Ye Luo e75a9b8045 Build with timers by default but at level none. 2020-09-02 11:32:19 -05:00
Ye Luo 254ccb86a2 Add ENABLE_OFFLOAD to docs. 2020-08-21 14:05:07 -05:00
Ye Luo 0ed2cacf44 Allow MVAPICH2 >=2.4 which fixed the aligned_alloc. 2020-07-29 15:01:01 -05:00
Ye Luo 7deff6cf4f Default CUDA_PROPAGATE_HOST_FLAGS to OFF. 2020-06-26 22:31:36 -05:00
Ye Luo d80b726059 Remove hard-coded CUDA_PROPAGATE_HOST_FLAGS option 2020-06-26 21:44:05 -05:00
Ye Luo b263c0ea43 Using consistent hip/hip_runtime.h 2020-06-23 00:56:34 -05:00
Ye Luo 4e20e2c5e6 Merge remote-tracking branch 'github/develop' into add_init_hip_cmake 2020-06-23 00:46:02 -05:00
Ye Luo c440d9d7a5 Add ENABLE_HIP and ENABLE_ROCM to cmake. 2020-06-23 00:44:19 -05:00