Installation issues

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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
1

2
16 Replies

35740 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

29988 Views

Last post by andreas.singraber
Thu May 19, 2022 7:56 am
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

35866 Views

Last post by davidnormal
Tue May 17, 2022 4:53 am
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

12497 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

11101 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

8777 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

10047 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
1

2
19 Replies

41682 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

6692 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

33511 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

7483 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

6597 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

54405 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
1

2
15 Replies

28602 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

6192 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

5658 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

7999 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

9531 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

7933 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

8956 Views

Last post by andkyr
Tue Feb 01, 2022 9:47 am

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