Installation issues

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Should I use the ILP64 interface or LP64 interface of Intel MKL while compiling VASP 6.3.0?

Last post by ferenc_karsai « Fri Feb 18, 2022 6:53 am
Replies: 3
by hszhao.cn@gmail.com » Wed Feb 16, 2022 12:07 pm

3 Replies

8215 Views

Last post by ferenc_karsai
Fri Feb 18, 2022 6:53 am
VASP 6.3.0 installation issue

Last post by ferenc_karsai « Wed Feb 16, 2022 8:29 am
Replies: 5
by SSEL_UNIST » Wed Feb 09, 2022 2:01 am

5 Replies

9785 Views

Last post by ferenc_karsai
Wed Feb 16, 2022 8:29 am
VASP.6.3.0 installation error

Last post by alexey.tal « Wed Feb 02, 2022 9:43 am
Replies: 3
by chung-group » Fri Jan 28, 2022 2:14 am

3 Replies

8139 Views

Last post by alexey.tal
Wed Feb 02, 2022 9:43 am
Problem with vasp6.2.1 compiled with intel oneAPI

Last post by andkyr « Tue Feb 01, 2022 9:47 am
Replies: 2
by andkyr » Thu Jan 27, 2022 5:03 pm

2 Replies

9140 Views

Last post by andkyr
Tue Feb 01, 2022 9:47 am
Wrong CPP option for Libbeef

Last post by fabien_tran1 « Sun Jan 23, 2022 8:02 am
Replies: 1
by shaldar » Sun Jan 23, 2022 12:39 am

1 Replies

6128 Views

Last post by fabien_tran1
Sun Jan 23, 2022 8:02 am
VASP 6.2.1 source code changes needed for Cray CCE

Last post by alexey.tal « Fri Jan 14, 2022 12:45 pm
Replies: 1
by janfredin » Tue Jan 11, 2022 4:38 pm

1 Replies

15131 Views

Last post by alexey.tal
Fri Jan 14, 2022 12:45 pm
installation of vasp 6.2.0 in a Linux server

Last post by fabien_tran1 « Wed Jan 05, 2022 10:22 pm
Replies: 13
by musanna_galib » Thu Dec 30, 2021 8:50 pm

13 Replies

23422 Views

Last post by fabien_tran1
Wed Jan 05, 2022 10:22 pm
Install vasp5.4.4 on Ubuntu 20.04.3 LTS

Last post by clams001@plattsburgh.edu « Fri Dec 31, 2021 4:06 am
Replies: 17
by clams001@plattsburgh.edu » Wed Oct 13, 2021 4:29 pm
1

2
17 Replies

37890 Views

Last post by clams001@plattsburgh.edu
Fri Dec 31, 2021 4:06 am
vasp installation with spin spiral

Last post by marie-therese.huebsch « Wed Dec 29, 2021 10:43 am
Replies: 6
by scanmat_centre » Sun Dec 12, 2021 7:51 am

6 Replies

12119 Views

Last post by marie-therese.huebsch
Wed Dec 29, 2021 10:43 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

29704 Views

Last post by fabien_tran1
Mon Dec 27, 2021 8:23 pm
VASP GPU on Cornelis OmniPath network

Last post by fabien_tran1 « Mon Dec 20, 2021 12:11 pm
Replies: 1
by thibautvery » Fri Dec 10, 2021 9:11 am

1 Replies

9050 Views

Last post by fabien_tran1
Mon Dec 20, 2021 12:11 pm
Installing VASP CPU only version on AMD EPYC 7742

Last post by davidnormal « Mon Dec 20, 2021 4:39 am
Replies: 7
by david_keller » Mon May 10, 2021 5:35 pm

7 Replies

24014 Views

Last post by davidnormal
Mon Dec 20, 2021 4:39 am
Install VASP 6.2.1 on Debian 11

Last post by martin.schlipf « Mon Dec 13, 2021 3:26 pm
Replies: 1
by peter_vancso2 » Tue Nov 02, 2021 3:36 pm

1 Replies

11274 Views

Last post by martin.schlipf
Mon Dec 13, 2021 3:26 pm
About the diff.patch in vasp.5.4.4.pl2

Last post by henrique_miranda « Mon Nov 29, 2021 7:25 am
Replies: 1
by hui_fang1 » Fri Nov 26, 2021 6:28 am

1 Replies

13947 Views

Last post by henrique_miranda
Mon Nov 29, 2021 7:25 am
VASP 6.2 compilation with OpenACC GPU port

Last post by david_keller « Mon Nov 22, 2021 1:30 pm
Replies: 19
by david_keller » Wed Jan 27, 2021 9:45 pm
1

2
19 Replies

82875 Views

Last post by david_keller
Mon Nov 22, 2021 1:30 pm
Compiling VASP

Last post by henrique_miranda « Tue Nov 16, 2021 9:56 pm
Replies: 1
by norge_cruzhernandez1 » Tue Nov 16, 2021 10:23 am

1 Replies

10772 Views

Last post by henrique_miranda
Tue Nov 16, 2021 9:56 pm
Vasp.6.2.1 multi core performance issues

Last post by martin.schlipf « Thu Nov 04, 2021 9:04 am
Replies: 3
by Ingrid Švajger » Tue Nov 02, 2021 1:49 pm

3 Replies

14284 Views

Last post by martin.schlipf
Thu Nov 04, 2021 9:04 am
VASP 6.2.1 with Intel oneAPI (Base+HPC) Toolkit on Ubuntu 20.04.3 - Tests Failed

Last post by martin.schlipf « Sat Oct 30, 2021 8:40 am
Replies: 3
by NIDAL@UWM.EDU » Fri Oct 29, 2021 6:52 am

3 Replies

14748 Views

Last post by martin.schlipf
Sat Oct 30, 2021 8:40 am
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

72691 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

43627 Views

Last post by james.almeida
Tue Oct 26, 2021 3:38 pm

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