Pietro Delugas
1068d3a7b6
removal of calls to zdotc for KS_SOLVERS/RMM
2021-08-12 21:46:01 +02:00
Pietro Delugas
3c1b5dae41
fixing compilation after alignement
2021-08-12 20:08:35 +02:00
Pietro Delugas
37a135b31d
upgrading CMakeLists files for RMM-DIIS
2021-08-12 20:08:34 +02:00
Pietro Delugas
b102d55c8f
adding a missing attributes(device) statement in gram_schmidt_k_gpu
2021-08-12 20:08:34 +02:00
Pietro Delugas
615f5d9164
Applying Andrea Ferretti patch
2021-08-12 20:08:34 +02:00
Elena De Paoli
9a89785edb
Add final version of gram_schimdt_gamma_gpu
2021-08-12 20:08:34 +02:00
Ivan Carnimeo
23ecd1c407
psi_d, hpsi_d, spsi_d passed directly to gram_schmidt_k_gpu
2021-08-12 20:08:34 +02:00
Ivan Carnimeo
e48ade51c3
still on gram_schmidt_k_gpu
2021-08-12 20:08:33 +02:00
Ivan Carnimeo
aaf469ae5b
some more on gram_schmidt_k_gpu
2021-08-12 20:08:33 +02:00
Elena De Paoli
c29cc3679f
add on gpu gram_schmidt_gamma_diag subroutine
2021-08-12 20:08:33 +02:00
Elena De Paoli
48e0b198f8
Add completed gpu version of rrmmdiag
2021-08-12 20:08:33 +02:00
Elena De Paoli
8412a8f806
add line_search on gpu in rrmmdiag
2021-08-12 20:08:33 +02:00
Elena De Paoli
1b9d5907d8
correct makefile
2021-08-12 20:08:33 +02:00
Ivan Carnimeo
51bd279882
utils_xpu removed from Makefile
2021-08-12 20:08:33 +02:00
Ivan Carnimeo
21cb5f2171
some more on GPU
2021-08-12 20:08:33 +02:00
Ivan Carnimeo
78905b3258
start merging gamma (by Elena DP) with k
2021-08-12 20:08:32 +02:00
Ivan Carnimeo
996a7c4393
some more on gram_schmidt_k_gpu
2021-08-12 20:08:32 +02:00
Ivan Carnimeo
a542953622
a little bit of gram_schmidt_k_gpu
2021-08-12 20:08:32 +02:00
Ivan Carnimeo
f58ab21137
gram_schmidt_k_gpu introduced
...
(PW/src/gram_schmidt.f90 could be eventually removed)
2021-08-12 20:08:32 +02:00
Ivan Carnimeo
d7a311854e
using_* fixed in c_bands, duplicates (e.g. psi/psi_d) removed in crmmdiagg_gpu
...
TODO: gram_schmidt
2021-08-12 20:08:32 +02:00
Ivan Carnimeo
4bb55aa60d
Fully on gpu (some refinement needed)
2021-08-12 20:08:32 +02:00
Ivan Carnimeo
9468105f90
line_search_gpu done
2021-08-12 20:08:32 +02:00
Ivan Carnimeo
076bb84153
line_search almost finished
2021-08-12 20:08:32 +02:00
Ivan Carnimeo
a80777e655
diag_diis stays on CPU
2021-08-12 20:08:32 +02:00
Ivan Carnimeo
4969d60af5
do_diis_gpu done
2021-08-12 20:08:31 +02:00
Elena De Paoli
cfe4b677f3
First step in gpu porting of RMM_DIIS.
...
Add the gpu files: rotate_xpsi_gpu.f90 in PW/src; rotate_xpsi_gamma_gpu.f90 and rotate_xpsi_k_gpu.f90 in KS_Solvers/RMM. Modify the correspondet makefiles.
Add gpu implementation of rotate_xpsi
Correct c_bands for gpu versione
2021-08-12 20:08:31 +02:00
Elena De Paoli
57760bec90
Adding RMM-DIIS cpu version
2021-08-12 20:08:31 +02:00
Paolo Giannozzi
1aa58fe0e8
Some zdotc removal - PLEASE CHECK
2021-07-19 16:38:09 +02:00
Ye Luo
bd3a072def
Remove print_mem_usage from KS_Solvers
2021-06-22 09:25:27 -05:00
Ye Luo
50fdd5905d
Add print_mem_usage
2021-06-19 17:06:56 -05:00
Paolo Giannozzi
1022784731
Misspells
2021-06-15 19:33:35 +02:00
Paolo Giannozzi
0ba4ea3a30
Misspell
2021-06-04 09:28:53 +02:00
Paolo Giannozzi
6ebf8879b1
GPU Davidson code breaks some old compilers that would otherwise work
2021-04-23 20:34:05 +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
Paolo Giannozzi
b080c148a2
Forgotten reference to removed make.gpu file, causing pipeline failure
2021-01-29 20:43:05 +00:00
Paolo Giannozzi
771b7da9f1
Cleanup of installation scripts and Makefiles
2021-01-29 15:59:09 +00:00
Paolo Giannozzi
229be57edb
Script for dependencies and make.depend updated
2021-01-23 22:32:58 +01:00
Daniele Cesarini
d462b73a6a
Fixed cmake files for cpu-gpu merge
2021-01-23 12:42:52 +01:00
Pietro Bonfa
0c285826d2
Merge branch 'develop' into syncqe8
2021-01-21 19:27:49 +01:00
Pietro
d1ec367d9d
Aligned gpu-develop branch with develop from QEF/q-e.
2021-01-19 22:16:25 +00:00
Daniele Cesarini
586f66aadf
Introduce CUDA support in CMake with some refactoring.
2021-01-18 14:50:50 +00:00
Paolo Giannozzi
f98e38a0c2
Removed unused references to zdotc
2020-12-22 12:11:00 +00:00
Pietro Bonfa
7b88b45d94
Replaced a couple of copies with devxlib API
2020-12-20 14:13:22 +01:00
Pietro Bonfa
d66616e746
Cleaned build system and dependencies
2020-12-14 11:13:08 +01:00
Pietro Bonfa
6058a2f5f7
Merge branch 'gpu-develop' into paro_gpu
2020-12-10 17:27:12 +01:00
Pietro Bonfa
9529540d8d
Merge branch 'develop' into syncqe5
2020-11-24 13:44:01 +01:00
Daniele Cesarini
b2a4a6b89f
Fixed shared library compilation
2020-11-23 12:16:32 +01:00
Pietro Bonfa
8e13a4b5c2
Always use devxlib now that we have it
2020-10-22 16:51:13 +02:00
Pietro Bonfa
a53816c4de
Now QE and QEGPU have the same makefiles! No more conflicts, yuppie!
2020-10-19 16:00:37 +02:00
Ivan Carnimeo
3fc412c84f
more line truncation errors corrected
2020-10-06 13:45:25 +02:00