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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

10347 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

13541 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

14032 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

71429 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

42894 Views

Last post by james.almeida
Tue Oct 26, 2021 3:38 pm
unable to download patch.5.4.4.16052018.gz

Last post by andreas.singraber « Tue Oct 19, 2021 6:56 am
Replies: 1
by shyamdeo » Mon Oct 18, 2021 10:00 pm

1 Replies

12592 Views

Last post by andreas.singraber
Tue Oct 19, 2021 6:56 am
Compiling VASP 6.2.1 with IntelOneAPI 2021.3.0 - Failed tests

Last post by andreas.singraber « Mon Oct 11, 2021 8:17 am
Replies: 9
by frank_niessen » Wed Oct 06, 2021 11:15 am

9 Replies

22404 Views

Last post by andreas.singraber
Mon Oct 11, 2021 8:17 am
VASP 6.2.1 compilation on Ubuntu 18.04.6 error

Last post by andreas.singraber « Thu Sep 30, 2021 10:09 am
Replies: 3
by meng-fu_chen » Sat Sep 25, 2021 3:30 pm

3 Replies

13188 Views

Last post by andreas.singraber
Thu Sep 30, 2021 10:09 am
Pseudopotential latest-

Last post by ferenc_karsai « Mon Sep 20, 2021 6:10 am
Replies: 3
by padmanaban_r » Thu Sep 16, 2021 9:16 am

3 Replies

13221 Views

Last post by ferenc_karsai
Mon Sep 20, 2021 6:10 am
VASP 6.2.1 Installation on Ubuntu 20.04.2 LTS - Tests failed

Last post by ferenc_karsai « Thu Aug 26, 2021 6:25 am
Replies: 3
by chempu » Tue Aug 24, 2021 7:15 am

3 Replies

13083 Views

Last post by ferenc_karsai
Thu Aug 26, 2021 6:25 am
VASP installation on AMD EPYC 7J13

Last post by marie-therese.huebsch « Mon Aug 23, 2021 5:38 am
Replies: 1
by hzakaryan » Thu Aug 19, 2021 11:14 am

1 Replies

10489 Views

Last post by marie-therese.huebsch
Mon Aug 23, 2021 5:38 am
Vasp 6.2.1 Intel Oneapi Compiler 2021.3.0 /Openmpi 4.1.1 nonl.f90: catastrophic error

Last post by andreas.singraber « Fri Aug 20, 2021 2:09 pm
Replies: 6
by hayak » Mon Aug 09, 2021 7:01 am

6 Replies

16452 Views

Last post by andreas.singraber
Fri Aug 20, 2021 2:09 pm
VASP 6.2 - MultiGPU node - set one rank per specific GPU

Last post by marie-therese.huebsch « Wed Jul 28, 2021 2:50 am
Replies: 1
by martin_gumbau » Tue Jul 27, 2021 9:08 am

1 Replies

33773 Views

Last post by marie-therese.huebsch
Wed Jul 28, 2021 2:50 am
compile VASP ncl AND gam

Last post by fgoeltl2 « Tue Jul 20, 2021 7:23 pm
Replies: 2
by fgoeltl2 » Fri Jul 16, 2021 9:20 pm

2 Replies

12401 Views

Last post by fgoeltl2
Tue Jul 20, 2021 7:23 pm
Warning during compilation on Ubuntu using GNU tools

Last post by henrique_miranda « Sun Jul 11, 2021 5:22 pm
Replies: 3
by roman_malyshev » Tue Jul 06, 2021 12:53 pm

3 Replies

11595 Views

Last post by henrique_miranda
Sun Jul 11, 2021 5:22 pm
compiling VASP 5.4.4.pl2 in Ubuntu 18.04.5

Last post by nydia_varela-rosales « Thu Jul 08, 2021 11:49 am
Replies: 6
by nydia_varela-rosales » Wed Jul 07, 2021 5:26 pm

6 Replies

12324 Views

Last post by nydia_varela-rosales
Thu Jul 08, 2021 11:49 am
Issues with Vasp 6.2.1 output result after compiling with Intel oneAPI toolkit.

Last post by soyinbo@uj.ac.za « Wed Jun 30, 2021 1:05 pm
Replies: 8
by soyinbo@uj.ac.za » Thu Jun 24, 2021 3:03 pm

8 Replies

14201 Views

Last post by soyinbo@uj.ac.za
Wed Jun 30, 2021 1:05 pm
Building vasp with AMD cpus

Last post by naiwrit_karmodak « Wed Jun 16, 2021 9:24 am
Replies: 2
by naiwrit_karmodak » Tue Jun 15, 2021 7:45 am

2 Replies

7184 Views

Last post by naiwrit_karmodak
Wed Jun 16, 2021 9:24 am
VASP 6.2 GPU compilation issues

Last post by Michael.Sluydts « Tue Jun 15, 2021 10:27 am
Replies: 2
by Michael.Sluydts » Wed May 12, 2021 12:10 pm

2 Replies

32556 Views

Last post by Michael.Sluydts
Tue Jun 15, 2021 10:27 am
vasp.6.2.1 installation on ubuntu.21.01

Last post by andreas.singraber « Wed Jun 09, 2021 9:05 pm
Replies: 3
by celina_sikorska » Tue May 25, 2021 12:56 am

3 Replies

8852 Views

Last post by andreas.singraber
Wed Jun 09, 2021 9:05 pm

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