Commit Graph

244 Commits

Author SHA1 Message Date
Paul Kent 6aa696a5e0 Add N_PROCS_BUILD variable to ctest script. Overrides N_PROCS if defined. Needed to avoid process limits and perform parallel testsing 2017-09-14 10:34:09 -04:00
Ye Luo 9fe1ec5243 Remove using environment variables in CMakeLists.
QMCPACK specific ones are removed.
CC, CXX and library specific ones are managed by CMake.
2017-09-09 19:47:56 -05:00
Paul R. C. Kent c4620159bd Merge pull request #354 from rcclay/cs_fix
Fix variance problem in CSVMC and add CMakeTests
2017-09-06 09:12:00 -04:00
Paul Kent b72501828a Increase compiler versions 2017-09-01 15:54:20 -04:00
Raymond Clay 5f1d585ae3 Fix variance problem in CSVMC and add CMakeTests 2017-08-29 18:30:40 -06:00
Paul Kent 9d47fbf9d2 Hopefully the last version of this fix... 2017-08-29 13:21:57 -04:00
Paul Kent 145cf102d5 Fix 2017-08-29 12:06:16 -04:00
Paul Kent 694966167e Fix order 2017-08-29 11:59:43 -04:00
Paul Kent 1e96a2e77e Route HDF5_ROOT in ctest script 2017-08-29 10:53:45 -04:00
Paul R. C. Kent 5f60c15199 Update IBMCompilers.cmake
Typo fix
2017-08-18 11:27:34 -04:00
Ye Luo eaeb4e4877 Adjust optimization flags for summitdev. 2017-08-17 18:32:10 -04:00
Ye Luo 0142b4aaf9 A big cleaning in CMake. 2017-08-17 00:10:04 -05:00
Ye Luo 3ad54a2db0 Rely on Cray compiler wrapper for cross-compiling. 2017-08-16 23:33:41 -05:00
Ye Luo 03d757a403 Retire all the SSE intrinsic einspline routines. 2017-08-16 23:33:41 -05:00
Ye Luo 0940b484df Add ENABLE_SOA to ctest_script.cmake 2017-08-06 21:30:21 -05:00
Ye Luo fe5fdb18fd Remove the use of TBB allocator. 2017-07-27 16:30:28 -05:00
Ye Luo 9f6b1bc59c Merge branch 'develop' into rebuild-master 2017-07-11 22:43:26 -05:00
Ye Luo 9b879906e0 Remove debug flag in Intel Compiler CMake setup. 2017-07-11 12:18:19 -05:00
Mark Dewing bc859f7ad7 Add merging of gcov files to the nightly tests
Some additional changes from the previous commit for merging gcov files:

With the --long-file-names (-l) and --preserve-paths (-p) options to gcov,
some of the file names would exceed the filesystem limits (255 characters).
One solution for shortening the names is to use the -source-prefix (-s) option
which removes some of the path elements in the name.  The shortened path is
used in the file name and in the Source: tag in the file.
This causes problems with gcovr, so the path prefix is restored to the Source:
tag when merging gcov files.

The processing pipeline for gcov files has an extra step - the long file names
are written to the tgcov_*_raw directories, and then merged to the corresponding
tgcov_* directory.

Many files have some executed code related to static initializers. It clutters
the output to have those included in the output, even though they only have one
line in them and it's considered covered.  Add files of this type to the files
to be removed in 'remove_unwanted_file'.

The gcov file merge and write does not yet handle branch information, which also
includes function headers.  These function headers are necessary for filtering the
static initializers.  Add an explicit step to filter the gcov files in the *_raw
directories.
2017-07-05 17:10:12 -05:00
Ye Luo b2b25162af Fix GPU build on SummitDev. 2017-07-03 00:17:13 -04:00
Ye Luo 093bbf1d7f Merge remote-tracking branch 'github/develop' into rebuild-master 2017-06-05 14:32:29 -05:00
Paul R. C. Kent 63bb56bb3c Merge pull request #249 from ye-luo/restart-test
Add a restart test
2017-06-05 12:38:02 -04:00
Ye Luo 98c104e910 Integrate restart test. 2017-06-04 00:00:46 -05:00
Mark Dewing 063e6f2958 Merge pull request #243 from markdewing/python_module_present
Add check for python modules for estimator tests.
2017-06-01 16:55:59 -05:00
Mark Dewing e2cab5e3a7 Add check for python modules for estimator tests.
Check a list of python modules to ensure they are installed before adding the estimator tests.
The test for module installation is based on whether the module successully imports or not.
If needed, additional tests of module functionality could be added.
2017-06-01 08:36:34 -05:00
Andreas Tillack 9a0fdc8403 Updated cmake compiler detection and settings to work with newer IBM XL compiler on ppc64le architecture as used on OLCF SummitDev. Additionally, updated the build recipe for OLCF SummitDev reflecting the current software stack and this change. 2017-05-31 16:01:54 -04:00
Ye Luo c83e728288 Merge remote-tracking branch 'github/develop' into rebuild-master
Conflicts:
	src/QMCDrivers/DMC/DMCOMP.cpp
	src/QMCDrivers/VMC/VMCSingleOMP.cpp
2017-05-26 23:37:09 -05:00
Mark Dewing 8051b45682 Fixes for clang compilation.
- Enable OpenMP by default (eventually will need to be off by default for Mac, on everywhere else)
- define __forceinclude
- suppress warnings about undefined template variables in src/spline2.  The class variables are
  defined for several types in the *.cpp files.  If they are somehow not present (or if the spline
  templates are used for a new type), there will be link errors.
- arithmetic on void pointers is not allowed.  Cast to char *, since these are byte-granularity addresses.
2017-05-24 09:32:53 -05:00
Paul Young f2e8501de8 incorporate estimator tests and complete manual
1. Implemented SIMPLE_RUN_AND_CHECK function in macros.cmake to run one
input, then run one test script.
2. Incorporated estimator tests in ctest suite.
3. Completed manual entries, including a paragraph on makeClone.

to-do:
1. make symbolic link to tests/solids/bccH_1x1x1_ae/pwscf.pwscf.h5
currently, the links have to be made manually in each estimator test
folder.
2017-05-23 16:58:44 -05:00
Paul Young 4b0d033edd added test not failing 2017-05-23 16:58:12 -05:00
Ye Luo 6e5d459e02 Merge remote-tracking branch 'github/develop' into rebuild-master 2017-05-11 10:16:29 -05:00
Paul Kent 160e05c117 Correct handling of QMC_MPI for ctest 2017-05-10 21:37:11 -04:00
Ye Luo ebd35d123a Set PROCESSORS in QE tests. 2017-05-06 16:51:25 -05:00
Mark Dewing 6cf57dd016 Support manual coverage runs
Move the coverage flags from the ctest script to the compiler scripts.
Both GCC and Clang support the GCC-style output with the --coverage flag.

Use the ENABLE_GCOV flag to add the compiler coverage flag.

Add a script (run_coverage.sh) to create the gcov files (and HTML reports
if gcovr is present) after a build is done with coverage enabled.
2017-05-05 16:35:41 -05:00
Ye Luo be200c3f87 Merge branch 'github-develop' into rebuild-master
Conflicts:
	src/HDF/hdf_traits.h
	src/QMCDrivers/DMC/DMCUpdatePbyP.cpp
	src/QMCDrivers/VMC/VMCUpdatePbyP.cpp
2017-04-07 18:27:34 -05:00
Paul R. C. Kent ff8ab23855 Merge pull request #179 from rcclay/rmc_test_and_tweak
Add ctests for RMC.  Also eliminate multithread chatter from RMCUpdate
2017-04-07 17:55:53 -04:00
Raymond Clay cdd68c9a77 Add ctests for RMC. Also eliminate multithread chatter from RMCUpdate 2017-04-07 14:31:00 -06:00
Paul Kent fccfdc62ba HTTPS required for cdash submissions 2017-04-06 15:52:31 -04:00
Mark Dewing bf1d5fb862 Scripts for running code coverage.
Add CMake module for handling coverage - create gcov files using the 'gcov'
tool, compare different runs, pack up tar files for upload to CDash, etc.

Modify the ctest script to handle coverage.  Activate by using the 'coverage' option
to -S (ctest -S ctest_script.cmake,coverage)
2017-04-03 14:12:21 -05:00
Ye Luo 3b3febf5be Merge branch 'rebuild-master' into LAPW
Conflicts:
	src/QMCWaveFunctions/TrialWaveFunction.cpp
2017-03-23 22:15:09 -05:00
Ye Luo edf7e1508b Merge branch 'github-develop' into rebuild-master 2017-03-23 22:08:34 -05:00
Paul Kent 7134346ab8 Enable AFQMC in testing 2017-03-20 17:04:14 -04:00
Ye Luo ef1992d45d Merge branch 'rebuild-master' into LAPW 2017-03-03 19:56:43 -06:00
Ye Luo a89d00351d Merge branch 'github-develop' into rebuild-master 2017-03-03 19:52:53 -06:00
Paul Kent 22646e03a7 Route timer settings 2017-02-21 15:21:56 -05:00
jeongnim 26793d784f Catch "-ax" as well as "-x" with intel compilers. 2017-02-17 07:50:39 -08:00
Ye Luo 2607652717 Merge branch 'github-develop' into rebuild-master 2017-02-12 21:44:15 -06:00
Mark Dewing 39c6d206ce Soft link pseudopotential files in tests.
Some of the *.BFD.xml files in the test inputs are referenceed using a relative
symbolic link.  Using FILE(COPY ...) will keep the link, which then becomes a
dangling link pointing to nothing.  The previous method of
'cmake -E copy_directory' converted to link to an actual file copy.  The fix is
to treat the psuedopotential files the same as the *.h5 files, and the code
creates a symbolic link to the original file.

Also print a status message with the state of QMC_SYMLINK_TEST_FILES and a short
explanation of the consequences.
2017-02-09 14:25:41 -06:00
Mark Dewing 1d4ecf5965 Symlink only the *.h5 files.
Copy every other file.
2017-02-08 14:39:51 -06:00
Mark Dewing e5c5c837a4 Use symbolic links for test files.
The variable QMC_SYMLINK_TEST_FILES can be used to force a copy instead
of creating a symlink (set it to FALSE).
2017-02-08 14:39:51 -06:00