Installation issues

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Installing VASP on RedHat and AMD EPYC 7313

Last post by manmohan.brahma « Sat Jul 22, 2023 6:07 pm
Replies: 4
by manoj_wijesingha » Fri Sep 23, 2022 7:15 pm

4 Replies

30845 Views

Last post by manmohan.brahma
Sat Jul 22, 2023 6:07 pm
VASP 6.4.0 with OpenACC+MPI+OpenMP+MKL

Last post by seananderson « Thu Jul 20, 2023 11:59 am
Replies: 3
by seananderson » Fri May 05, 2023 4:55 pm

3 Replies

27762 Views

Last post by seananderson
Thu Jul 20, 2023 11:59 am
Calculation does not converge. showing error

Last post by pedro_melo « Mon Jul 17, 2023 9:35 am
Replies: 1
by akanksha_goyal » Mon Jul 17, 2023 6:36 am

1 Replies

16670 Views

Last post by pedro_melo
Mon Jul 17, 2023 9:35 am
Different energy values in different vasp versions?

Last post by marie-therese.huebsch « Fri Jul 14, 2023 8:34 am
Replies: 1
by exk301 » Thu Jun 08, 2023 5:10 pm

1 Replies

19676 Views

Last post by marie-therese.huebsch
Fri Jul 14, 2023 8:34 am
error - shared libraries: libqdmod.so.0 in NVIDIA HPC-SDK container

Last post by amihai_silverman1 « Thu Jul 13, 2023 6:50 am
Replies: 15
by amihai_silverman1 » Tue Jul 04, 2023 6:32 am
1

2
15 Replies

84876 Views

Last post by amihai_silverman1
Thu Jul 13, 2023 6:50 am
Vasp6.4.0 build errors with oneapi 2021.7.1

Last post by jonathan_lahnsteiner2 « Thu Jul 06, 2023 8:51 am
Replies: 4
by junweilucasbao » Mon Jul 03, 2023 7:57 pm

4 Replies

22677 Views

Last post by jonathan_lahnsteiner2
Thu Jul 06, 2023 8:51 am
Vasp 6.4.1 installation issue

Last post by jonathan_lahnsteiner2 « Tue Jul 04, 2023 2:07 pm
Replies: 1
by krishnakumar_singh1 » Tue Jul 04, 2023 7:39 am

1 Replies

17180 Views

Last post by jonathan_lahnsteiner2
Tue Jul 04, 2023 2:07 pm
UCX ERROR Invalid active_width on mlx5_0:1: 16

Last post by amihai_silverman1 « Tue Jul 04, 2023 5:58 am
Replies: 9
by amihai_silverman1 » Thu Jun 29, 2023 7:43 am

9 Replies

53003 Views

Last post by amihai_silverman1
Tue Jul 04, 2023 5:58 am
Error in routine nonlr.F when installing VASP version 6.4.1

Last post by hatedark1 « Sun Jun 25, 2023 1:08 pm
Replies: 2
by hatedark1 » Thu Jun 22, 2023 11:57 pm

2 Replies

16245 Views

Last post by hatedark1
Sun Jun 25, 2023 1:08 pm
nvhpc hpc-x compilation got segmentation fault

Last post by marie-therese.huebsch « Mon Jun 12, 2023 9:36 am
Replies: 1
by davidnormal » Sun Jun 11, 2023 7:40 am

1 Replies

44022 Views

Last post by marie-therese.huebsch
Mon Jun 12, 2023 9:36 am
vasp_gpu compile error

Last post by martin.schlipf « Fri Jun 02, 2023 7:04 am
Replies: 1
by xiaowan_bai » Fri Jun 02, 2023 2:08 am

1 Replies

41974 Views

Last post by martin.schlipf
Fri Jun 02, 2023 7:04 am
Error installing vasp.6.4.1 with gcc

Last post by amihai_silverman1 « Sun May 21, 2023 6:22 am
Replies: 2
by amihai_silverman1 » Thu May 18, 2023 11:00 am

2 Replies

17561 Views

Last post by amihai_silverman1
Sun May 21, 2023 6:22 am
Syntax error in vasp.6.4.1 minimax_functions1D.F

Last post by amihai_silverman1 « Sun May 21, 2023 5:59 am
Replies: 2
by amihai_silverman1 » Wed May 17, 2023 10:00 am

2 Replies

22263 Views

Last post by amihai_silverman1
Sun May 21, 2023 5:59 am
Error occurs when compiling VASP.6.3.2 with AOCC

Last post by liu_jiyuan « Thu May 18, 2023 4:24 am
Replies: 4
by liu_jiyuan » Wed Jan 18, 2023 6:04 am

4 Replies

30384 Views

Last post by liu_jiyuan
Thu May 18, 2023 4:24 am
Install vasp with hdf5 support

Last post by suejeong_you « Wed May 17, 2023 3:46 am
Replies: 2
by suejeong_you » Mon May 01, 2023 4:30 am

2 Replies

12672 Views

Last post by suejeong_you
Wed May 17, 2023 3:46 am
VASP installation on Fujitsu A64FX platforms

Last post by andreas.singraber « Fri May 05, 2023 8:43 am
Replies: 4
by ivr900 » Tue Oct 05, 2021 11:53 pm

4 Replies

26011 Views

Last post by andreas.singraber
Fri May 05, 2023 8:43 am
How to get libxc to work with vasp.6.4.1-gpu

Last post by fabien_tran1 « Thu May 04, 2023 6:46 am
Replies: 6
by huangjs » Sat Apr 29, 2023 2:25 pm

6 Replies

19183 Views

Last post by fabien_tran1
Thu May 04, 2023 6:46 am
Building VASP 6.4.1 OpenACC

Last post by merzuk.kaltak « Tue Apr 25, 2023 1:09 pm
Replies: 1
by john_low1 » Fri Apr 21, 2023 9:03 pm

1 Replies

13423 Views

Last post by merzuk.kaltak
Tue Apr 25, 2023 1:09 pm
Compiling VASP using Intel oneAPI on AMD processors

Last post by ferenc_karsai « Sat Apr 22, 2023 8:03 am
Replies: 5
by iretamoreno_joel1 » Sat Dec 10, 2022 7:09 pm

5 Replies

26399 Views

Last post by ferenc_karsai
Sat Apr 22, 2023 8:03 am
Question about VASP 6.3.2 with NVHPC+mkl

Last post by alexey.tal « Tue Apr 18, 2023 12:24 pm
Replies: 3
by siwakorn_sukharom » Mon Mar 27, 2023 5:22 am

3 Replies

17267 Views

Last post by alexey.tal
Tue Apr 18, 2023 12:24 pm

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