Installation issues

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Test suite when VASP is compiled using Intel 2020.1.217

Last post by hszhao.cn@gmail.com « Mon Mar 07, 2022 12:02 pm
Replies: 11
by john_low1 » Wed Feb 10, 2021 2:29 pm

11 Replies

32068 Views

Last post by hszhao.cn@gmail.com
Mon Mar 07, 2022 12:02 pm
Should I use the exactly same Intel MKL link line and compiler options to compile vasp and its 3rd interfaced libraries?

Last post by hszhao.cn@gmail.com « Thu Mar 03, 2022 7:24 am
Replies: 2
by hszhao.cn@gmail.com » Mon Feb 21, 2022 12:42 pm

2 Replies

7212 Views

Last post by hszhao.cn@gmail.com
Thu Mar 03, 2022 7:24 am
What's the tolerance used by the testsuite?

Last post by ferenc_karsai « Tue Mar 01, 2022 7:14 am
Replies: 1
by hszhao.cn@gmail.com » Tue Feb 22, 2022 3:02 pm

1 Replies

6338 Views

Last post by ferenc_karsai
Tue Mar 01, 2022 7:14 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

53322 Views

Last post by Dankomaister
Wed Feb 23, 2022 6:32 am
VASP 6.3.0 compiles but fais some validation tests

Last post by hszhao.cn@gmail.com « Wed Feb 23, 2022 3:19 am
Replies: 15
by chunsheng_wang » Fri Feb 11, 2022 12:01 am
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2
15 Replies

26787 Views

Last post by hszhao.cn@gmail.com
Wed Feb 23, 2022 3:19 am
Validate the vasp compilation as much as possible without running all tests in testsuite.

Last post by ferenc_karsai « Mon Feb 21, 2022 8:44 am
Replies: 1
by hszhao.cn@gmail.com » Sat Feb 19, 2022 9:11 am

1 Replies

5884 Views

Last post by ferenc_karsai
Mon Feb 21, 2022 8:44 am
VASP 6.2.1 compilation issue

Last post by ferenc_karsai « Fri Feb 18, 2022 10:33 pm
Replies: 1
by xiaohan_bie1 » Fri Feb 18, 2022 5:02 pm

1 Replies

5396 Views

Last post by ferenc_karsai
Fri Feb 18, 2022 10:33 pm
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

7569 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

9078 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

7537 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

8596 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

5737 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

14744 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

21777 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
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2
17 Replies

35189 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

11212 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

29224 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

8707 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

22972 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

10957 Views

Last post by martin.schlipf
Mon Dec 13, 2021 3:26 pm

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