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19930 Commits

Author SHA1 Message Date
Ye Luo 855487c778 Always build all in cmake-nvhpc CI. 2021-06-03 16:44:23 -05:00
Ye Luo 560d766ac4 Merge branch 'fix-magnon-CUDA' into 'develop' 
[CMake] Fix magnon in CUDA build.

See merge request QEF/q-e!1443
 2021-06-03 15:48:03 +00:00
Ye Luo 886d8aaeec Fix magnon in CUDA build. 2021-06-03 10:07:29 -05:00
giannozz c1d994e713 Merge branch 'fix-fftw3' into 'develop' 
Fix threaded FFTW3 initialization

See merge request QEF/q-e!1440
 2021-06-03 09:54:47 +00:00
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
giannozz 46a34e3262 Merge branch 'magnons-develop' into 'develop' 
Turbo_magnons code

See merge request QEF/q-e!1425
 2021-06-01 09:08:35 +00:00
Oscar Baseggio 1ee3bebd55 apply patch to fi CMakelists.txt files 2021-05-31 08:50:23 +02:00
Baseggio 898e2ec093 fix CMakeLists.txt and TDDFPT/CMakeLists.txt 2021-05-28 16:26:09 +02:00
Oscar Baseggio 4a2e4930ea add magnon example on test-suite 2021-05-28 16:26:09 +02:00
Oscar Baseggio 9e3421cfd8 solve bug in restart for magnons 2021-05-28 16:26:09 +02:00
Oscar Baseggio e1ba740a02 add error message 2021-05-28 16:26:09 +02:00
Oscar Baseggio a93c4b118f remove a duplicate routine 2021-05-28 16:26:09 +02:00
Oscar Baseggio c87cf18e22 fix the print preamble 2021-05-28 16:26:09 +02:00
Oscar Baseggio 738179876a add magnon example 2021-05-28 16:26:09 +02:00
Oscar Baseggio 074a8d09f3 fix LR_Modules/CMakeLists.txt 2021-05-28 16:26:09 +02:00
Oscar Baseggio a77d8cc7aa move some routines to LR_MODULES 2021-05-28 16:26:09 +02:00
Oscar Baseggio d7ca8fa110 fix bug in TDDFPT/src/lr_alloc_init 
fix pseudo_hermitian code
 2021-05-28 16:26:09 +02:00
Oscar Baseggio f85ba9f344 solve pipeline 2021-05-28 16:26:09 +02:00
Oscar Baseggio e3a963c1b7 aligned develop 2021-05-28 16:26:09 +02:00
Oscar Baseggio ad98e90e5c fix parallel compilation 2021-05-28 16:26:09 +02:00
Oscar Baseggio 0dd08b9b35 fix parallel compilation, 
add documentation
 2021-05-28 16:26:09 +02:00
Oscar Baseggio c6d55317f9 update laxlib in turbo_magnons 2021-05-28 16:26:09 +02:00
Oscar Baseggio 9e86543abe solve conflict, and update turbo_spectrum for magnons 2021-05-28 16:26:09 +02:00
Oscar Baseggio 5779fe92b0 try to solve conflict 2021-05-28 16:26:09 +02:00
Oscar Baseggio bcf0938c93 conflict in turbo_spectrum 2021-05-28 16:26:09 +02:00
Oscar Baseggio 063a1b84e1 solve conflict 2021-05-28 16:26:09 +02:00
Oscar Baseggio aea20fa7a6 add pseudo hermitian algorithm for turbo_magnons 2021-05-28 16:26:09 +02:00
Oscar Baseggio eeabebd4e0 add pseudo hermitian algorithm for turbo_magnons 2021-05-28 16:26:09 +02:00
Oscar Baseggio 99b9ad8ca8 print some informations 2021-05-28 16:26:09 +02:00
Oscar Baseggio 983c3edaa9 clean variables 2021-05-28 16:26:09 +02:00
Oscar Baseggio d3d742a87a small changes on turbo_magnons 2021-05-28 16:26:09 +02:00
Oscar Baseggio 0e8acf1c0c fixed bug for nbnd > nbnd_occ 2021-05-28 16:26:09 +02:00
Oscar Baseggio d1cbab3c36 update turbo_spectrum.x for magnons 2021-05-28 16:26:09 +02:00
Oscar Baseggio 27973d1fa7 turbo_magnons.x 6.4.1 version aligned develop 2021-05-28 16:26:09 +02:00
giannozz db01c71754 Merge branch 'allclocks' into 'develop' 
fixing and cleaning  merge request  !1435

See merge request QEF/q-e!1437
 2021-05-28 13:28:11 +00:00
Pietro Delugas 4345997d23 removing references to deleted report_clock_pw from build systems 2021-05-28 11:16:18 +02:00
Pietro Delugas a7adc6ed57 all timing info also for cp.x 2021-05-28 11:07:05 +02:00
giannozz 67aab1e7f9 Merge branch 'develop' into 'develop' 
fixed gipaw export issue

See merge request QEF/q-e!1434
 2021-05-28 08:42:12 +00:00
Pietro Delugas 5e171bf17b fixing and cleaning last merge request 2021-05-28 10:31:51 +02:00
giannozz 7f1444372e Merge branch 'allclocks' into 'develop' 
adding all clocks to the timing_info element of xml file

See merge request QEF/q-e!1435
 2021-05-27 20:43:01 +00:00
giannozz 7a938c7f2d Merge branch 'hdf5-fix' into 'develop' 
fixing reading collinear magnetization into non-collinear for the hdf5 case

See merge request QEF/q-e!1436
 2021-05-27 06:54:15 +00:00
giannozz 3ef40161b4 Merge branch 'develop' into 'develop' 
Minor fix in compute_ppsi.f90

See merge request QEF/q-e!1432
 2021-05-27 06:51:45 +00:00
Ye Luo f86c0647f9 Merge branch 'check-cusolver-function' into 'develop' 
[CMake] Test cusolver Zhegvdx

See merge request QEF/q-e!1433
 2021-05-27 01:40:25 +00:00
Ye Luo 2f60661e45 Merge branch 'cmake-phonon' into 'develop' 
[CMake] add missing PHonon executables.

See merge request QEF/q-e!1431
 2021-05-27 01:39:10 +00:00
Pietro Delugas 6f4c41a5a2 fixing reading collinear magnetization into non-collinear for the hdf5 case 2021-05-27 01:30:45 +02:00
Pietro Delugas 3a9428d7dc adding all clocks to the timing_info element of xml file 2021-05-27 00:16:02 +02:00
FCMeng e045a22965 fixed gipaw export issue 2021-05-25 23:59:37 -04:00
Ye Luo ce8fec50c8 Test cusolver Zhegvdx instead of a warning blindly. 2021-05-25 09:02:57 -05:00
H. Lee 43bc659c09 Minor fix in compute_ppsi 2021-05-25 07:13:56 +02:00