Installation issues

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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

45924 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

15072 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

29871 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

16434 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

16386 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

16676 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

12756 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

21722 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

36090 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

15371 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

14946 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

16989 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

19338 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

9501 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

35424 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

11883 Views

Last post by andreas.singraber
Wed Jun 09, 2021 9:05 pm
VASP 6 Installation with Wannier

Last post by martin.schlipf « Wed Jun 09, 2021 8:00 am
Replies: 1
by iris_trii » Wed Jun 09, 2021 7:28 am

1 Replies

7956 Views

Last post by martin.schlipf
Wed Jun 09, 2021 8:00 am
Installation of VASP 6.2 - Tests failed

Last post by martin.schlipf « Wed Jun 09, 2021 7:33 am
Replies: 18
by frank_niessen » Thu Mar 11, 2021 11:39 am
1

2
18 Replies

39399 Views

Last post by martin.schlipf
Wed Jun 09, 2021 7:33 am
Compiling vasp 6.2.0 with acc in CUDA11.2

Last post by tian_tian « Tue May 25, 2021 3:13 am
Replies: 2
by tian_tian » Tue May 11, 2021 6:33 pm

2 Replies

30034 Views

Last post by tian_tian
Tue May 25, 2021 3:13 am
CPU usage explodes when using vasp6.2 cpu version compiled with nvidia hpc-sdk (openacc)

Last post by seungjae_kwak « Tue May 18, 2021 5:14 am
Replies: 2
by seungjae_kwak » Sun May 16, 2021 9:55 am

2 Replies

9226 Views

Last post by seungjae_kwak
Tue May 18, 2021 5:14 am

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