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MD on gpu SCF fast update slow: solution?

Last post by davidnormal « Tue May 17, 2022 4:53 am
Replies: 3
by paulfons » Fri Apr 22, 2022 8:16 am

3 Replies

1649 Views

Last post by davidnormal
Tue May 17, 2022 4:53 am
VASP 6.3 ACC OMP problem

Last post by Dankomaister « Wed Feb 23, 2022 6:32 am
Replies: 8
by Dankomaister » Thu Feb 03, 2022 7:50 am

8 Replies

4151 Views

Last post by Dankomaister
Wed Feb 23, 2022 6:32 am
VASP 6 on AMD GPUs

Last post by Dankomaister « Thu Feb 03, 2022 7:27 am
Replies: 2
by Dankomaister » Mon Dec 27, 2021 11:55 am

2 Replies

2777 Views

Last post by Dankomaister
Thu Feb 03, 2022 7:27 am
installation of vasp 6.2.0 with GPU (xclib_grad_gpu.f90)

Last post by fabien_tran1 « Mon Dec 27, 2021 8:23 pm
Replies: 1
by musanna_galib » Wed Dec 22, 2021 11:30 pm

1 Replies

1966 Views

Last post by fabien_tran1
Mon Dec 27, 2021 8:23 pm
VASP 6.2.0 GPU code, compiles but doesn't run

Last post by james.almeida « Fri Oct 29, 2021 3:47 pm
Replies: 6
by james.almeida » Tue Oct 26, 2021 5:24 pm

6 Replies

18666 Views

Last post by james.almeida
Fri Oct 29, 2021 3:47 pm
the output discrepancy of VASPsol for CPU and GPU results

Last post by james.almeida « Tue Oct 26, 2021 3:38 pm
Replies: 3
by cenwanglai » Thu Mar 29, 2018 11:08 pm

3 Replies

13806 Views

Last post by james.almeida
Tue Oct 26, 2021 3:38 pm
VASP 6.2 - MultiGPU node - set one rank per specific GPU

Last post by marie-therese.huebsch « Wed Jul 28, 2021 2:50 am
Replies: 1
by martin_gumbau » Tue Jul 27, 2021 9:08 am

1 Replies

7935 Views

Last post by marie-therese.huebsch
Wed Jul 28, 2021 2:50 am
VASP 6.2 GPU compilation issues

Last post by Michael.Sluydts « Tue Jun 15, 2021 10:27 am
Replies: 2
by Michael.Sluydts » Wed May 12, 2021 12:10 pm

2 Replies

8309 Views

Last post by Michael.Sluydts
Tue Jun 15, 2021 10:27 am
Compiling vasp 6.2.0 with acc in CUDA11.2

Last post by tian_tian « Tue May 25, 2021 3:13 am
Replies: 2
by tian_tian » Tue May 11, 2021 6:33 pm

2 Replies

8262 Views

Last post by tian_tian
Tue May 25, 2021 3:13 am
VASP 6.2 ACC GPU corrector takes much more time

Last post by david_keller « Mon May 10, 2021 5:01 pm
Replies: 2
by david_keller » Wed Feb 10, 2021 4:18 pm

2 Replies

8164 Views

Last post by david_keller
Mon May 10, 2021 5:01 pm
VASP 6.2.0 OpenACC build failing with NVIDIA HPC-SDK 21.2

Last post by ferenc_karsai « Mon May 03, 2021 10:43 am
Replies: 2
by ivan.kondov@kit.edu » Thu Apr 22, 2021 8:08 pm

2 Replies

11794 Views

Last post by ferenc_karsai
Mon May 03, 2021 10:43 am
Choice of GPU for VASP 6

Last post by mmarsman « Tue Apr 13, 2021 2:42 pm
Replies: 1
by roman_malyshev » Wed Apr 07, 2021 11:13 pm

1 Replies

8207 Views

Last post by mmarsman
Tue Apr 13, 2021 2:42 pm
GPU job complete but still running in the server

Last post by merzuk.kaltak « Thu Mar 25, 2021 10:29 am
Replies: 1
by cuikun_lin » Thu Mar 18, 2021 10:40 pm

1 Replies

7148 Views

Last post by merzuk.kaltak
Thu Mar 25, 2021 10:29 am
Use more than 1 node with GPUs

Last post by merzuk.kaltak « Thu Mar 04, 2021 1:04 pm
Replies: 3
by david_keller » Thu Feb 25, 2021 3:35 pm

3 Replies

8564 Views

Last post by merzuk.kaltak
Thu Mar 04, 2021 1:04 pm
error related to memory allocation on gpu with vasp/6.1.2 std calculations on Power9

Last post by henrique_miranda « Tue Jan 26, 2021 10:52 am
Replies: 3
by mariella_ippolito1 » Fri Nov 27, 2020 8:31 am

3 Replies

8779 Views

Last post by henrique_miranda
Tue Jan 26, 2021 10:52 am
VASP 6 GPU Reciprocal space projectors

Last post by martin.schlipf « Tue Dec 01, 2020 3:06 pm
Replies: 3
by jbackman » Fri Nov 27, 2020 3:57 pm

3 Replies

8896 Views

Last post by martin.schlipf
Tue Dec 01, 2020 3:06 pm
VASP 6.1.1 - GPU fails (CUDA Error in cuda_mem.cu)

Last post by ferenc_karsai « Fri Oct 23, 2020 11:02 am
Replies: 1
by bert_tijskens » Tue Oct 13, 2020 4:50 pm

1 Replies

7587 Views

Last post by ferenc_karsai
Fri Oct 23, 2020 11:02 am
Nvidia VASP 6.1 benchmark

Last post by ferenc_karsai « Fri Oct 23, 2020 10:57 am
Replies: 1
by prodenas » Tue Sep 22, 2020 8:58 am

1 Replies

6799 Views

Last post by ferenc_karsai
Fri Oct 23, 2020 10:57 am
Is there anyone who can use pinned memory option with xl compiler?

Last post by prodenas « Tue Sep 22, 2020 1:29 pm
Replies: 1
by guiyang_huang1 » Wed Nov 13, 2019 4:09 pm

1 Replies

7571 Views

Last post by prodenas
Tue Sep 22, 2020 1:29 pm
fails during the installation of vasp 6.1.0 with GPU

Last post by merzuk.kaltak « Tue Sep 15, 2020 12:49 pm
Replies: 1
by amontero » Mon Sep 14, 2020 3:21 pm

1 Replies

6562 Views

Last post by merzuk.kaltak
Tue Sep 15, 2020 12:49 pm

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