Installation issues

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Last post by admin « Mon Sep 24, 2018 1:44 pm

by admin » Mon Sep 24, 2018 1:44 pm

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Last post by admin
Mon Sep 24, 2018 1:44 pm
Build VASP 6.3.1 GPU with libbeef

Last post by jsarlo@central.uh.edu « Thu Jun 30, 2022 7:32 pm
Replies: 4
by jsarlo@central.uh.edu » Mon Jun 27, 2022 7:54 pm

4 Replies

179 Views

Last post by jsarlo@central.uh.edu
Thu Jun 30, 2022 7:32 pm
Error while compiling VASP 6.2.1 GPU_ACC mode execution

Last post by fabien_tran1 « Mon Jun 27, 2022 11:42 am
Replies: 16
by rishikanta_m » Tue Jun 21, 2022 2:55 am
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2
16 Replies

722 Views

Last post by fabien_tran1
Mon Jun 27, 2022 11:42 am
make error NVfortran

Last post by andreas.singraber « Thu May 19, 2022 7:56 am
Replies: 9
by cristiana_ciobanu1 » Tue May 10, 2022 6:29 am

9 Replies

2198 Views

Last post by andreas.singraber
Thu May 19, 2022 7:56 am
Error locating the fft subroutines

Last post by michail_stamatakis1 « Wed May 18, 2022 5:28 pm

by michail_stamatakis1 » Wed May 18, 2022 5:28 pm

0 Replies

394 Views

Last post by michail_stamatakis1
Wed May 18, 2022 5:28 pm
Error: Array specification required in ALLOCATE statement

Last post by andreas.singraber « Fri Apr 29, 2022 2:40 pm
Replies: 5
by leocristobal_ambolode » Thu Mar 24, 2022 7:16 pm

5 Replies

1758 Views

Last post by andreas.singraber
Fri Apr 29, 2022 2:40 pm
Compilation error on Fujitsu A64FX (VASP 6.3.0)

Last post by andreas.singraber « Sat Apr 09, 2022 8:23 pm
Replies: 5
by shiba_itcut » Wed Apr 06, 2022 12:58 am

5 Replies

1808 Views

Last post by andreas.singraber
Sat Apr 09, 2022 8:23 pm
Fatal Error: Can't open module file 'ieee_arithmetic.mod'

Last post by merzuk.kaltak « Tue Apr 05, 2022 12:31 pm
Replies: 3
by xiaoyu_wang » Sun Apr 03, 2022 7:57 pm

3 Replies

1130 Views

Last post by merzuk.kaltak
Tue Apr 05, 2022 12:31 pm
request for functional makefile.include for GPU and 6.3.0

Last post by marie-therese.huebsch « Wed Mar 30, 2022 6:39 am
Replies: 1
by paulfons » Tue Mar 15, 2022 4:34 am

1 Replies

1313 Views

Last post by marie-therese.huebsch
Wed Mar 30, 2022 6:39 am
Linking error compiling GPU version of Vasp 6.3.0

Last post by marie-therese.huebsch « Wed Mar 30, 2022 6:28 am
Replies: 19
by paulfons » Wed Mar 09, 2022 9:24 am
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2
19 Replies

5562 Views

Last post by marie-therese.huebsch
Wed Mar 30, 2022 6:28 am
VASP 6.3.0 fftw multiple reference during linking

Last post by ferenc_karsai « Mon Mar 14, 2022 1:58 pm
Replies: 1
by davidnormal » Wed Feb 23, 2022 1:06 pm

1 Replies

1355 Views

Last post by ferenc_karsai
Mon Mar 14, 2022 1:58 pm
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

12629 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

1246 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

1185 Views

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

5130 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

1076 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

1067 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

1099 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

2058 Views

Last post by ferenc_karsai
Wed Feb 16, 2022 8:29 am
Are HPC Administrators required to hold a license to compile VASP?

Last post by HPBHPB « Mon Feb 14, 2022 2:56 pm
Replies: 2
by HPBHPB » Fri Feb 04, 2022 5:28 pm

2 Replies

1455 Views

Last post by HPBHPB
Mon Feb 14, 2022 2:56 pm

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