Installation issues

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compiling vasp 6.3.0 with HDF5 support

Last post by fabien_tran1 « Fri Oct 14, 2022 7:47 pm
Replies: 3
by scpeter@jncasr » Fri Oct 14, 2022 6:55 am

3 Replies

15847 Views

Last post by fabien_tran1
Fri Oct 14, 2022 7:47 pm
VASP Installation Errors: mpif90: error libraries: libimf.so

Last post by ferenc_karsai « Mon Oct 03, 2022 10:16 am
Replies: 3
by manoj_wijesingha » Wed Sep 21, 2022 7:33 pm

3 Replies

6811 Views

Last post by ferenc_karsai
Mon Oct 03, 2022 10:16 am
Segmentation Error In Validation Test on Vasp6.3.2

Last post by ferenc_karsai « Mon Oct 03, 2022 10:06 am
Replies: 3
by sawantk » Thu Sep 22, 2022 3:42 am

3 Replies

7368 Views

Last post by ferenc_karsai
Mon Oct 03, 2022 10:06 am
segmentation fault for vasp 6.3.2 in running process

Last post by martin.schlipf « Fri Sep 30, 2022 7:31 am
Replies: 1
by suojiang_zhang1 » Wed Sep 28, 2022 1:00 am

1 Replies

5191 Views

Last post by martin.schlipf
Fri Sep 30, 2022 7:31 am
VASP6.3.2 testsuite stuck on bulk_GaAs_ACFDT

Last post by kyujungjun « Tue Aug 09, 2022 7:13 pm
Replies: 7
by kyujungjun » Tue Aug 02, 2022 12:34 am

7 Replies

12736 Views

Last post by kyujungjun
Tue Aug 09, 2022 7:13 pm
GPU error : cuCtxSynchronize returned error 214

Last post by paulfons « Fri Aug 05, 2022 2:14 pm
Replies: 2
by paulfons » Tue Jul 26, 2022 5:29 am

2 Replies

32109 Views

Last post by paulfons
Fri Aug 05, 2022 2:14 pm
Boltztrap code

Last post by henrique_miranda « Fri Jul 29, 2022 2:20 pm
Replies: 1
by karthik_hj » Fri Jul 29, 2022 5:10 am

1 Replies

5807 Views

Last post by henrique_miranda
Fri Jul 29, 2022 2:20 pm
Are HPC Administrators required to hold a license to compile VASP?

Last post by henrique_miranda « Wed Jul 27, 2022 3:41 pm
Replies: 4
by HPBHPB » Fri Feb 04, 2022 5:28 pm

4 Replies

11342 Views

Last post by henrique_miranda
Wed Jul 27, 2022 3:41 pm
Error locating the fft subroutines

Last post by henrique_miranda « Wed Jul 27, 2022 3:39 pm
Replies: 1
by michail_stamatakis1 » Wed May 18, 2022 5:28 pm

1 Replies

6144 Views

Last post by henrique_miranda
Wed Jul 27, 2022 3:39 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

10940 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
1

2
16 Replies

34308 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

28755 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

35215 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

11894 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

10475 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

8313 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

9726 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

38204 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

6370 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

31905 Views

Last post by hszhao.cn@gmail.com
Mon Mar 07, 2022 12:02 pm

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