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VASP 6.3.0 ACC OMP memory leak

Last post by andreas.singraber « Mon Jan 16, 2023 8:21 am
Replies: 14
by Dankomaister » Tue May 03, 2022 1:36 am

14 Replies

39022 Views

Last post by andreas.singraber
Mon Jan 16, 2023 8:21 am
py4vasp issue

Last post by martin.schlipf « Mon Jan 16, 2023 7:48 am
Replies: 3
by shirin_akter1 » Thu Jan 12, 2023 2:27 pm

3 Replies

10571 Views

Last post by martin.schlipf
Mon Jan 16, 2023 7:48 am
internal error in mpi.F

Last post by andreas.singraber « Thu Jan 12, 2023 9:20 am
Replies: 7
by martin.gmitra » Mon Dec 26, 2022 8:48 pm

7 Replies

22234 Views

Last post by andreas.singraber
Thu Jan 12, 2023 9:20 am
Wrong link to ML_MHIS

Last post by andreas.singraber « Sat Jan 07, 2023 12:13 am
Replies: 1
by jeremiah » Fri Jan 06, 2023 9:51 am

1 Replies

7884 Views

Last post by andreas.singraber
Sat Jan 07, 2023 12:13 am
Memory Issue with ALGO=ACFDTR

Last post by s_ringe « Fri Dec 09, 2022 2:54 pm
Replies: 3
by s_ringe » Wed Dec 07, 2022 10:08 am

3 Replies

11504 Views

Last post by s_ringe
Fri Dec 09, 2022 2:54 pm
Constrained occupation not respected in VASP6

Last post by henrique_miranda « Mon Dec 05, 2022 4:01 pm
Replies: 1
by oscarlb » Fri Dec 02, 2022 2:49 pm

1 Replies

10805 Views

Last post by henrique_miranda
Mon Dec 05, 2022 4:01 pm
NaN in Machine Learning of liquid surfacs

Last post by ferenc_karsai « Fri Dec 02, 2022 1:22 pm
Replies: 5
by julien_steffen » Mon Oct 24, 2022 11:51 am

5 Replies

13780 Views

Last post by ferenc_karsai
Fri Dec 02, 2022 1:22 pm
BSE - WAVEDER cannot be found

Last post by pnikacevic « Tue Nov 29, 2022 11:26 am
Replies: 4
by pnikacevic » Wed Nov 23, 2022 2:17 pm

4 Replies

12897 Views

Last post by pnikacevic
Tue Nov 29, 2022 11:26 am
memory leak: AIMD with openmpi 4.1.4 on GPUs

Last post by liu_jiyuan « Thu Nov 24, 2022 1:02 am
Replies: 2
by liu_jiyuan » Sat Nov 19, 2022 2:12 pm

2 Replies

10658 Views

Last post by liu_jiyuan
Thu Nov 24, 2022 1:02 am
EFIELD bug in VASP 6.1.2

Last post by merzuk.kaltak « Mon Nov 21, 2022 2:44 pm
Replies: 1
by nfchilton » Mon Nov 21, 2022 12:21 pm

1 Replies

8020 Views

Last post by merzuk.kaltak
Mon Nov 21, 2022 2:44 pm
bur report: ML_ISTART=3, ^@ in System name of ML_ABN

Last post by ferenc_karsai « Wed Nov 16, 2022 2:55 pm
Replies: 2
by jianli_shao1 » Wed Nov 16, 2022 5:12 am

2 Replies

9858 Views

Last post by ferenc_karsai
Wed Nov 16, 2022 2:55 pm
BUG when running supercell SCF calculation

Last post by henrique_miranda « Mon Nov 14, 2022 2:07 pm
Replies: 5
by jbackman » Tue Nov 08, 2022 3:55 pm

5 Replies

13102 Views

Last post by henrique_miranda
Mon Nov 14, 2022 2:07 pm
VASP 6.3.1 KPOINTS_OPT and NPAR

Last post by chenghao_liu1 « Fri Nov 04, 2022 7:12 pm
Replies: 6
by chenghao_liu1 » Sat Oct 29, 2022 3:43 am

6 Replies

12517 Views

Last post by chenghao_liu1
Fri Nov 04, 2022 7:12 pm
NDOS >= 10000 Breaks Doscar Formatting

Last post by fabien_tran1 « Thu Oct 13, 2022 12:12 pm
Replies: 1
by graham_pritchard » Tue Oct 11, 2022 7:52 pm

1 Replies

5384 Views

Last post by fabien_tran1
Thu Oct 13, 2022 12:12 pm
internal error in: radial.F at line: 844

Last post by martin.schlipf « Tue Oct 04, 2022 10:06 am
Replies: 4
by paulfons » Tue Oct 04, 2022 5:26 am

4 Replies

9217 Views

Last post by martin.schlipf
Tue Oct 04, 2022 10:06 am
Bug report: problems with constrained magnetic moment: VASP 6.3.2, OpenACC, R2SCAN

Last post by merzuk.kaltak « Mon Sep 12, 2022 1:33 pm
Replies: 4
by arnab_kabiraj1 » Wed Sep 07, 2022 12:50 pm

4 Replies

10046 Views

Last post by merzuk.kaltak
Mon Sep 12, 2022 1:33 pm
bug with writing ML_LOGFILE

Last post by andreas.singraber « Fri Sep 02, 2022 3:13 pm
Replies: 1
by xiliang_lian » Tue Aug 30, 2022 7:12 pm

1 Replies

5608 Views

Last post by andreas.singraber
Fri Sep 02, 2022 3:13 pm
VASP 6.2.0 -- HSE06 Out of Memory Bug

Last post by graham_pritchard « Fri Jul 29, 2022 3:22 pm
Replies: 3
by graham_pritchard » Sun Jul 24, 2022 1:50 am

3 Replies

10845 Views

Last post by graham_pritchard
Fri Jul 29, 2022 3:22 pm
A correction of the VASP WIKI page for the IMAGES flag.

Last post by fabien_tran1 « Fri Jul 08, 2022 4:02 pm
Replies: 1
by john_low1 » Fri Jul 08, 2022 3:45 pm

1 Replies

6325 Views

Last post by fabien_tran1
Fri Jul 08, 2022 4:02 pm
VASP2WANNIER90 UNK file bug

Last post by henrique_miranda « Wed Jul 06, 2022 4:01 pm
Replies: 8
by chengcheng_xiao1 » Thu May 20, 2021 10:59 am

8 Replies

30867 Views

Last post by henrique_miranda
Wed Jul 06, 2022 4:01 pm

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