Ye Luo
d624b52879
Fix NVHPC builds.
2023-06-08 15:52:19 -05:00
Ye Luo
88adf65eee
Add Intel offload flags in CMake.
2023-06-08 18:52:10 +00:00
Ye Luo
3185623eee
Add OpenMP offload CMake bits for NVHPC.
2023-06-08 13:20:18 -05:00
Ye Luo
224ef281fa
Make CCE fortran work with OpenMP offload.
2023-06-07 18:36:35 -04:00
Ye Luo
fa9da44e4b
Add OpenMP offload configuration for gcc.
2023-06-07 13:46:42 -05:00
Ye Luo
b01dc36885
Merge branch 'cce' into 'develop'
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Add CMake customization for the Cray Fortran compiler
See merge request QEF/q-e!2080
2023-05-10 20:59:10 +00:00
Ye Luo
baaeac4db5
Warning user Cray Fortran is not ready for production use.
2023-05-09 17:32:32 -04:00
Ye Luo
e9242e01a5
Introduce Cray compiler (CCE ftn) customization.
2023-05-08 17:37:00 -04:00
Ye Luo
cf74c944fe
Make vanilla scalapack search as the fallback.
2022-10-19 17:39:34 -05:00
Ye Luo
061b55ad1e
[CMake] fix xcf03 dependency on xc.
2022-06-05 09:39:44 -05:00
Pietro Delugas
5c1e65933e
Merge remote-tracking branch 'official_qe/develop' into rism-devel
2022-05-25 16:03:00 +02:00
Pietro Delugas
808f8dd6f1
Merge branch 'environ-coupling' into 'develop'
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Environ coupling
See merge request QEF/q-e!1799
2022-04-07 15:23:47 +00:00
Edan Bainglass
142fb86873
Added CMAKE support
2022-03-31 13:41:58 -05:00
Ye Luo
bd8a81a967
Stop NVHPC 21.11-22.2 with OpenMP and OpenACC combo.
2022-03-07 11:29:41 -06:00
Ye Luo
fb095a3fcb
Protect 'single' and "double" quotes.
2022-02-24 16:43:37 -06:00
Daniele Cesarini
eaee37d32f
Distilled path suffixes
2022-02-16 16:24:07 +01:00
Daniele Cesarini
ed144104cf
Added CMake finder for external libraries
2022-02-16 12:53:33 +01:00
Ye Luo
f8e7b3699e
Remove eigensolver_gpu submodule and its CMake ref.
2022-02-04 13:05:03 -06:00
Minoru Otani
3065b892ed
fix NVHPC backslash issue
2021-12-29 16:08:39 +09:00
Ye Luo
4b80c1cd65
Restrict git log print to first characters.
2021-11-25 09:53:00 -06:00
giannozz
065e601809
Merge branch 'print-gitinfo' into 'develop'
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Add git info printout
See merge request QEF/q-e!1639
2021-11-23 21:22:30 +00:00
Pietro Delugas
028b48cd43
Merge branch 'merge_request_cp_openacc' into 'develop'
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Furthering CUDA acceleration of CPV with mixed approach openACC/CUDA-Fortran
See merge request QEF/q-e!1600
2021-11-22 11:01:14 +00:00
Ye Luo
f36bae7947
Add git info printout.
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Program PWSCF v.6.8 starts on 21Nov2021 at 22:46:22
Git branch: develop
Last git commit: 3d23547afcb7d00aadec64d65438f1f1849e5a61-dirty
Last git commit date: Sun Nov 21 15:37:37 2021 +0000
Last git commit subject: Merge branch check-nvfortran-flags into develop
2021-11-21 23:13:31 -06:00
Pietro Davide Delugas
6e06d6ca7d
fixing cp compilation for intel compiler
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make veryclean removes MBD build directory
if not removed during configure the presence of MBD may cause compilation failure
fixing missing initialization in CPV/src/stress.f90
cleanup of CPV/src/potentials.f90
2021-11-20 20:46:25 +01:00
Ye Luo
359e6d22b1
Propagate GPU target info to OpenACC as well.
2021-11-20 13:25:13 -06:00
Ye Luo
9fa77942e2
Check NVFORTRAN_CUDA_CC and NVFORTRAN_CUDA_VERSION together.
2021-11-20 12:25:12 -06:00
Pietro Delugas
5f9ebda198
Merge branch 'Vxc_on_gpu2' into 'develop'
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Vxc on gpu
See merge request QEF/q-e!1630
2021-11-20 16:34:19 +00:00
Ye Luo
5f2ea12796
Add a CMake version check for OpenACC.
2021-11-14 21:03:19 -06:00
fabrizio22
657992eacb
beef_acc - openacc_c compilation fixes
2021-11-11 10:04:11 +01:00
fabrizio22
7e613b3e9a
beef_acc - acc flag added to C compiler
2021-11-11 10:04:11 +01:00
Ye Luo
4841273f08
Add initialize_external_repos.sh.
2021-11-07 15:50:50 -06:00
Ye Luo
ec69857974
Introduce CMake options to configure nvfortran.
2021-09-02 22:48:49 -05:00
Ye Luo
e8fb61650f
Allow setting QE_CPP for an alternative C preprocessor.
2021-07-20 12:54:34 -05:00
Ye Luo
f74cfd93e1
Change -acc handling in CMake.
2021-07-15 23:12:34 -05:00
Ye Luo
87bd09f5ee
Add OpenACC switch in CMake.
2021-07-09 22:46:28 -05:00
Ye Luo
0492a88de6
Clean up FindELPA.
2021-06-14 09:04:20 -05:00
Ye Luo
daef299bf2
Merge remote-tracking branch 'origin/develop' into add-unit-test-runner
2021-05-23 16:28:20 -05:00
giannozz
c90ef57678
Merge branch 'add-sanitizer' into 'develop'
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Fix a minor memory leak and LAXlib/test.f90 issues
See merge request QEF/q-e!1428
2021-05-23 20:41:16 +00:00
Ye Luo
69fbdcb0b1
Add unit test runner.
2021-05-23 09:58:06 -05:00
Ye Luo
01e6c5d727
Remove non-existing sanitizers in gfortran.
2021-05-23 08:40:12 -05:00
Ye Luo
2a5b501d33
Move GNU options to GNU configure file.
2021-05-22 16:53:21 -05:00
Ye Luo
fd4abf5fbe
Update comments.
2021-05-18 01:41:38 -05:00
Ye Luo
01608d851f
Only fetch necessary parts.
2021-05-18 00:58:11 -05:00
Ye Luo
dbf306d739
Enable CMake support when source is not git repo.
2021-05-18 00:18:29 -05:00
Ye Luo
d146e25482
Only link requested FFTW components.
...
FFTW components may be cached in a previous cmake invocation.
Only those got requested should be linked.
Reproducer:
cmake -DQE_FFTW_VENDOR=FFTW3 -DQE_ENABLE_OPENMP=ON ..
cmake -DQE_FFTW_VENDOR=FFTW3 -DQE_ENABLE_OPENMP=OFF ..
The second cmake still adds libfftw3_omp
2021-05-09 14:06:51 -05:00
Ye Luo
e429c040d3
Workaround nvfortran O3 bug in CMake Release build.
2021-04-18 17:57:37 -05:00
Daniele Cesarini
6de9b6eb46
CMAKE: Cuda flag refactoring for NVHPC > 20.7
2021-04-10 14:20:16 +02:00
Daniele Cesarini
042a8ca1a0
CMake fixes for shared lib builds and added a CI build for NVHPC
2021-04-06 19:07:49 +00:00
Ye Luo
a3f3f71860
Add missing target_link_libraries in ESSL case.
2021-03-10 22:42:36 -06:00
toxa81
9395493fdd
fixes to the FindLibxc logic
2021-03-05 17:39:55 +01:00