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362 Commits

Author SHA1 Message Date
mmorale3 39299ecb60 pull upstream and bug fix 2019-03-25 12:28:31 -07:00
mmorale3 83fcf5151b fixed real build, needs unit testing and real live tests 2019-03-22 14:39:46 -07:00
Ye Luo 07a909898d Merge branch 'develop' into use-cublas 2019-03-20 20:17:03 -05:00
Ye Luo 00c5156c22 Update CMakeLists.txt. 2019-03-20 17:03:03 -05:00
Peter Doak 9574ad6328
Merge branch 'develop' into offload-spline 2019-03-20 16:44:19 -04:00
Ye Luo ab76df2870 Merge remote-tracking branch 'origin/develop' into use-cublas 2019-03-18 09:58:01 -05:00
mmorale3 07ee9ba05f pull upstream and conflict resolution 2019-03-15 15:51:03 -07:00
Ye Luo 511a353ca8 More cleaning. 2019-03-13 18:50:29 -05:00
Ye Luo 13aaeb4715 Rename macro ENABLE_CUBLAS to ENABLE_CUDA. 2019-03-12 18:43:48 -05:00
Ye Luo 24259b7940 A bit clean up. 2019-03-10 11:48:21 -05:00
Ye Luo 76983495b6 Merge branch 'single-det-class-inheritance' into use-cublas 2019-03-09 21:19:58 -06:00
Ye Luo d7bdfddbf0 Merge remote-tracking branch 'origin/develop' into offload-spline 2019-03-07 08:39:09 -06:00
Ye Luo 84d4cb0d1d Check compiler and libstdc++ compatibility 2019-03-05 13:52:02 -06:00
mmorale3 204d0ff471 several bug fixes on gpu mixed precision 2019-03-04 10:28:28 -08:00
Ye Luo ee972ad24f Rename QMC_CUDA_NEXT to ENABLE_CUBLAS=1 2019-03-01 23:16:43 -06:00
Ye Luo a480b564b7 Merge branch 'develop' into use-cublas-try-merge 2019-03-01 20:51:11 -06:00
mmorale3 c4a8e018ed working on mixed precision 2019-03-01 13:35:20 -08:00
Ye Luo b11347191f Add ENABLE_OFFLOAD 2019-02-04 21:50:09 -06:00
Ye Luo 0c55da571c Turn off AFQMC by default. 
Explicitly turn on AFQMC in CI GNU builds.
 2019-02-04 10:49:53 -06:00
Ye Luo 4e2327ebd3 Remove any mention of Xeon Phi accelerator. 2019-02-01 22:00:54 -06:00
Mark Dewing aef797a16c Remove QMC_BUILD_LEVEL 
The default had been set to 3, and was only changed to build the sandbox apps.
Remove the ifdefs in most places, and replace with QMC_BUILD_SANDBOX_ONLY
where appropriate.
Fixes #1051.
 2019-01-29 18:06:37 -06:00
Paul Kent 6afa0ff2af Remove more legacY 2018-12-27 09:25:52 -05:00
Ye Luo eac4395894 Do not turn on AFQMC with QMC_CUDA. 2018-12-22 08:03:53 -06:00
Ye Luo 89ead3203a Enable AFQMC by default with the MPI complex full precision build. 2018-12-22 06:20:24 -06:00
Paul Kent c6f02a8640 Increase version number to 3.6.0, update release notes 2018-12-18 20:37:00 -05:00
Mark Dewing ca966720ca Set minimum boost version to 1.61.0 
Addresses #1254

This is for AFQMC.  The real-space version may have more relaxed version requirements,
but this version seems available most everywhere and for simplicity a single
version requirement is added.
 2018-12-14 15:27:51 -06:00
Ye Luo a63f519a42 Merge remote-tracking branch 'github/develop' into merge_afqmc 2018-12-13 22:04:47 -06:00
Mark Dewing 997aa4124e Add configuration check for AFQMC and QMC_COMPLEX 
AFQMC only works with QMC_COMPLEX=1 for now.
 2018-12-13 20:53:24 -06:00
Mark Dewing 361d2ef36a
Merge branch 'develop' into nx_release_1_6 2018-12-13 10:48:22 -06:00
Mark Dewing 43c38f8963 Fix PGI compiler build with GCC 7 
Move the CMake C++ standard settings before the compiler-specific configuration files.
The compiler configs can then override these settings if necessary.
 2018-12-11 17:15:22 -06:00
Jaron Krogel 75f56e9645 nexus: add option enable/disable nexus install in cmake 2018-12-11 17:23:02 -05:00
Jaron Krogel e6494c152c nexus: defer install and add flags to suppress rc file path update 2018-12-11 13:51:53 -05:00
Jaron Krogel 29b6928feb nexus: fix cmake install path 2018-12-11 12:43:09 -05:00
Jaron Krogel 4440a80c6b nexus: add nexus install to cmake 2018-12-11 12:05:40 -05:00
Mark Dewing a5fef58368 Add install for qmcpack binaries 
Also install the qmcpack.settings file.
 2018-12-04 21:40:54 -06:00
Ye Luo 942b956f26 Add allocator based on cudamalloc. 2018-11-08 11:24:08 -06:00
Ye Luo d18f71342a Add CUDAallocator allocator. 2018-11-08 09:07:45 -06:00
Mark Dewing d149380b7d Initial support for PGI compiler 2018-11-02 15:56:44 -05:00
Ye Luo 2e908cd8f3 More language correction. 2018-10-31 16:34:21 -05:00
Mark Dewing 2ab0838130 Remove unused code for C++14 check. 2018-10-30 14:12:35 -05:00
Mark Dewing 9afbfa74d6 Test that a C++14 library is configured. 
Also try to give some advice based on which compiler is detected.
 2018-10-25 17:22:07 -05:00
Mark Dewing 4122b264b9 Flip the switch to require C++ 14 2018-10-25 13:27:00 -05:00
Mark Dewing b3133b60d3 Fix compile on BG/Q (Mira) 
The required minimum cmake version also sets the policies according to that
cmake version.  The CMP0060 policy changed in cmake 3.3.

This policy change caused the libraries returned from finding the HDF library
to fail to link, because CMake previously altered the form on the link line,
and the new behavior does not.

The policy cannot be set in the toolchain file because of warnings related
to policy scope and CMP0011.
 2018-10-23 21:31:53 +00:00
Mark Dewing d29e5af0c7 Increase cmake minimum to 3.6.0. 
Remove the unneeded cmake version tests.
Switch to the cmake mechanism for specifying the C++11 standard
3.6.0 is the first version that gets the C++11 flags correct for the Intel compiler

Addresses #832
 2018-10-19 17:03:50 -05:00
Paul Kent f5c7747afb Correct spelling errors across entire source 2018-10-10 19:58:16 -04:00
Ye Luo 0b8d1662f5 Cache ENABLE_SOA in CMakeLists and print in header 2018-10-08 10:54:48 -05:00
Ye Luo 3c40bfd1fb Remove QMC_SK_USE_RECURSIVE. 2018-09-01 17:15:14 -05:00
Paul Kent 12a520fe84 Changelog for v3.5.0 2018-08-01 15:45:56 -04:00
Peter Doak 4504d64238 will drop the deprecated and inefficient link_libraries another day 2018-07-05 19:45:59 -04:00
Peter Doak a77ed4f2a6 Unbreaking CXX11 check. Needed appleclang for cuda and its horrible. 
But that is a different issue.
 2018-07-05 19:21:32 -04:00