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476 Commits

Author SHA1 Message Date
fabrizio22 87008577fb rho_ffts - rho_r2g_gpu removed 2022-04-26 17:44:50 +02:00
fabrizio22 54fd4e8754 XClib-acc - present instead of deviceptr in gradcorr 2022-04-22 13:28:33 +02:00
Daniele Cesarini 9b0bc813aa Removed verbose message 2022-02-16 12:54:05 +01:00
Fabrizio Ferrari 196ab14f89 Update FFTXlib/src/CMakeLists.txt 2022-01-12 11:47:21 +00:00
Ye Luo 7b3a09e4f1 Move gen_test_params.py under tests/ 2021-12-22 10:54:03 -06:00
Ye Luo d02aa864f4 Restore pure makefile build. 2021-12-21 19:01:32 -06:00
Ye Luo be33e614ce Move FFTXlib source files under src. 2021-12-21 18:35:10 -06:00
fabrizio22 bba0b48bc8 Vxc_acc - rho_r2g on gpu 2021-11-12 18:18:46 +01:00
Paolo Giannozzi 5d74f827c4 Remove make.depend files from git 2021-10-24 21:29:29 +02:00
Pietro Bonfa f9f2609873 Fixed Makefile 2021-10-22 10:36:01 +02:00
Pietro Bonfa 3ed9a958d3 Oops, I forgot it starts from start (see changes to understand)! Also removed useless copy. 2021-10-22 10:25:44 +02:00
Pietro Bonfa 0ae2ec1c49 Check all g vectors in all tests, fixed accuracy loss, removed unused variables 2021-10-20 12:54:14 +02:00
Pietro Bonfa 00ae01e896 Comments 2021-10-20 09:57:41 +02:00
Ye Luo 41aef76228 Fix CMake. 2021-10-19 09:40:09 -05:00
Pietro Bonfa f6610c6303 Removed useless computation of global g offset 2021-10-19 16:29:18 +02:00
Pietro Bonfa 8df478ebf7 Not only gamma! (or a bunch of other vectors on the various procs) 2021-10-19 14:27:27 +02:00
Pietro Bonfa eb247841cc Populate g vectors correctly in invfft 2021-10-19 13:59:09 +02:00
Pietro Bonfa 7bbf02fbf4 Adding g-vector map generation 2021-10-19 08:34:30 +02:00
Pietro Bonfa c336ed75bf Fixed data initialization 2021-09-20 10:13:23 +02:00
Pietro Bonfa 16277ca0bb Do not test fft_scatter when there's nothing to scatter 2021-09-09 12:20:45 +02:00
Pietro Bonfa 4ab72a0077 Fixing tests 2021-09-08 17:22:31 +02:00
Victor Yu 5c9c38fbd5 Add include 'mpif.h' to FFTXlib/tests 
It's used when not using the MPI module.
 2021-09-03 10:41:58 -04:00
Ye Luo ade26bea7f Connect FFTXlib/tests to CMake/CTest 2021-09-03 09:26:54 -04:00
Victor Yu b435659c58 Make output more consistent in fft_test.f90 2021-09-03 09:26:54 -04:00
Victor Yu c3e3bbad5b Update FFTXlib/tests 
Should compile and run again.
 2021-09-03 09:26:54 -04:00
giannozz 05a6150ff8 Merge branch 'let-fftw3-fly' into 'develop' 
Using FFTW_MEASURE instead of FFTW_ESTIMATE makes the FFTW3 driver much faster!

See merge request QEF/q-e!1542
 2021-09-02 18:42:14 +00:00
Victor Yu 187e59fc7f Update FFT test driver 
* Add pencil vs. slab
* Add missing timer
* Improve code readability by using enumerators
 2021-08-27 11:52:33 -04:00
Pietro Bonfa 23aca5c03e Using FFTW_MEASURE instead of FFTW_ESTIMATE makes the fftw3 driver much faster! 2021-07-29 11:02:27 +02:00
Paolo Giannozzi 1022784731 Misspells 2021-06-15 19:33:35 +02:00
Ye Luo 2855812998 Use fftw3 f03 APIs 2021-06-02 03:19:21 -05:00
Ye Luo 4a55750669 Fix threaded FFTW3 initialization. 2021-06-01 23:56:28 -05:00
Ye Luo 69fbdcb0b1 Add unit test runner. 2021-05-23 09:58:06 -05:00
Ye Luo bde6f94490 Bury unused cfft3ds_gpu implementaton in history. 2021-05-20 14:54:20 -05:00
Ye Luo 46a06bdaee Check CUDA return codes in fft_scalar.cuFFT 2021-05-19 18:42:44 -05:00
Ye Luo a404003f8c Avoid timers from qe_utilx. 2021-05-08 16:05:56 -05:00
Ye Luo 3598304f6e Fix FFTXLIB NVHPC warning. 2021-05-02 14:43:41 -05:00
Ye Luo 01a13df4b2 Relocate unit tests. 2021-05-02 14:43:11 -05:00
Ye Luo 076c837704 Correct target dependency when FFTW3 is explicit. 2021-04-21 20:56:41 -05:00
giannozz b4d2b9d3d3 Merge branch 'pdos' into 'develop' 
Some cleanup

See merge request QEF/q-e!1359
 2021-03-27 10:04:56 +00:00
Paolo Giannozzi 5c444d5a1d The definitions of "backward" and "forward" FFT in on-line comments was 
not consistent with what FFTs actually do in the code
 2021-03-27 10:29:08 +01:00
Hyungjun Lee 0b1895c542 Update fft_scalar.DFTI.f90 2021-03-24 13:41:53 -05:00
Paolo Giannozzi 122caa6dd9 More ARMLib FFT removal 2021-02-13 10:07:35 +01:00
Paolo Giannozzi c81066cc2c Obsolete FFTs from ARMlib removed 2021-02-13 09:57:45 +01:00
giannozz f1e5fe0d8c Merge branch 'make_clean' into 'develop' 
Cleanup of installation scripts and Makefiles

See merge request QEF/q-e!1305
 2021-01-30 08:43:22 +00:00
giannozz 09fae64988 Merge branch 'workaround' into 'develop' 
making destroy of desc%a2a_comp safer

See merge request QEF/q-e!1307
 2021-01-30 08:42:48 +00:00
Paolo Giannozzi 771b7da9f1 Cleanup of installation scripts and Makefiles 2021-01-29 15:59:09 +00:00
Pietro Delugas 966dd5b992 making destroy of desc%a2a_comp safer 2021-01-29 15:35:30 +01:00
Ye Luo 890c0c6bd1 [CMake] fft_test build 2021-01-28 19:13:42 -06:00
Ye Luo 249f8640e5 Remove DSCAL in FFTXLIB. 2021-01-28 18:06:00 -06:00
Ye Luo 40a5f8ae0e Remove ZDSCAL in FFTXLIB 2021-01-28 17:54:56 -06:00