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Last post by admin « Mon Sep 24, 2018 1:44 pm

by admin » Mon Sep 24, 2018 1:44 pm

0 Replies

15699 Views

Last post by admin
Mon Sep 24, 2018 1:44 pm
vasp_gam [VASP 5.x and 6.x] with Intel got hung for large supercells

Last post by henrique_miranda « Wed Mar 22, 2023 5:12 pm
Replies: 1
by khoang » Mon Mar 20, 2023 8:32 pm

1 Replies

25 Views

Last post by henrique_miranda
Wed Mar 22, 2023 5:12 pm
Bug: REAL_OPTLAY: internal error (1) 4067298 4072050

Last post by henrique_miranda « Wed Mar 22, 2023 3:01 pm
Replies: 1
by filipejunqueira » Wed Mar 22, 2023 2:38 pm

1 Replies

16 Views

Last post by henrique_miranda
Wed Mar 22, 2023 3:01 pm
Solving 'Error EDDDAV: Call to ZHEGV failed. Returncode = 7 1 8'

Last post by henrique_miranda « Wed Mar 22, 2023 2:33 pm
Replies: 1
by junting_zhang » Tue Mar 21, 2023 11:08 pm

1 Replies

19 Views

Last post by henrique_miranda
Wed Mar 22, 2023 2:33 pm
forrtl: severe (39): error during read, unit 503, file /path/to/working/dir/ML_FF

Last post by kai_oshiro « Fri Mar 17, 2023 5:23 am
Replies: 2
by kai_oshiro » Wed Mar 15, 2023 11:29 am

2 Replies

127 Views

Last post by kai_oshiro
Fri Mar 17, 2023 5:23 am
internal error in GENERATE_KPOINTS_TRANS: number of G-vector changed in star 70552 70554

Last post by henrique_miranda « Thu Mar 16, 2023 7:08 pm
Replies: 1
by ungur.liviu » Fri Mar 10, 2023 10:57 am

1 Replies

257 Views

Last post by henrique_miranda
Thu Mar 16, 2023 7:08 pm
bug in vhdf5.F when running NEB with VTST

Last post by awang95 « Thu Mar 16, 2023 6:00 pm
Replies: 4
by awang95 » Thu Nov 03, 2022 4:39 pm

4 Replies

1224 Views

Last post by awang95
Thu Mar 16, 2023 6:00 pm
Problem in Scf convergence in different version of VASP

Last post by sourav « Wed Mar 15, 2023 5:20 am
Replies: 2
by sourav » Tue Feb 28, 2023 6:23 pm

2 Replies

145 Views

Last post by sourav
Wed Mar 15, 2023 5:20 am
Inconsistent INISYM behavior between Intel- and NVIDIA-compiled VASP

Last post by pedro_melo « Mon Mar 13, 2023 12:38 pm
Replies: 1
by ebanyas » Tue Feb 28, 2023 11:23 pm

1 Replies

91 Views

Last post by pedro_melo
Mon Mar 13, 2023 12:38 pm
"Segmentation fault" using vasp.6.3.0 with wannier90_3.1

Last post by zrqustc « Wed Mar 08, 2023 5:48 pm
Replies: 2
by zrqustc » Fri Mar 03, 2023 3:18 am

2 Replies

401 Views

Last post by zrqustc
Wed Mar 08, 2023 5:48 pm
LDIAG=False has not effect for ionic relaxation

Last post by yihuang_xiong « Wed Mar 01, 2023 4:13 am
Replies: 17
by yihuang_xiong » Mon Jan 23, 2023 4:45 am
1

2
17 Replies

24040 Views

Last post by yihuang_xiong
Wed Mar 01, 2023 4:13 am
VASP 6.4 ML_ISTART=2 doesn't work

Last post by xiliang_lian « Fri Feb 24, 2023 9:39 am
Replies: 12
by xiliang_lian » Fri Feb 17, 2023 3:38 pm

12 Replies

846 Views

Last post by xiliang_lian
Fri Feb 24, 2023 9:39 am
MPI bug: internal error in: vhdf5_base.F at line: 2270

Last post by fabien_tran1 « Wed Feb 08, 2023 3:13 pm
Replies: 1
by amritachatto » Tue Feb 07, 2023 4:03 pm

1 Replies

1968 Views

Last post by fabien_tran1
Wed Feb 08, 2023 3:13 pm
AECCAR0 file has all NaN wriiten

Last post by fabien_tran1 « Fri Feb 03, 2023 2:39 pm
Replies: 17
by SKM » Sat Apr 10, 2021 2:57 am
1

2
17 Replies

25855 Views

Last post by fabien_tran1
Fri Feb 03, 2023 2:39 pm
Si HSE Wannier example crashes with overflow

Last post by vahid_askarpour « Fri Feb 03, 2023 1:17 am
Replies: 2
by vahid_askarpour » Tue Jan 31, 2023 3:31 pm

2 Replies

2860 Views

Last post by vahid_askarpour
Fri Feb 03, 2023 1:17 am
internal error in: nonlr.F at line: 555

Last post by fabien_tran1 « Wed Feb 01, 2023 10:33 am
Replies: 1
by armando_derezende » Mon Jan 30, 2023 9:20 pm

1 Replies

2563 Views

Last post by fabien_tran1
Wed Feb 01, 2023 10:33 am
HSE calculations stops with BUG report

Last post by fabien_tran1 « Tue Jan 31, 2023 9:55 am
Replies: 2
by kdoblhoff » Mon Jan 30, 2023 11:36 am

2 Replies

2705 Views

Last post by fabien_tran1
Tue Jan 31, 2023 9:55 am
"internal error in: mpi.F, M_sumb_d: invalid vector size" in wannier mode

Last post by dongshen_wen « Thu Jan 26, 2023 10:38 am
Replies: 4
by dongshen_wen » Tue Jan 10, 2023 10:50 am

4 Replies

3370 Views

Last post by dongshen_wen
Thu Jan 26, 2023 10:38 am
py4vasp (problem with 'plot' from 'py4vasp' )

Last post by andreas.singraber « Mon Jan 16, 2023 8:41 am
Replies: 2
by rfaccio » Fri Jan 13, 2023 9:59 pm

2 Replies

2995 Views

Last post by andreas.singraber
Mon Jan 16, 2023 8:41 am
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

11845 Views

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

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