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FFT error in mpi version

Last post by acadien « Thu Jan 31, 2013 8:58 pm
Replies: 3
by bth20 » Wed Sep 14, 2005 10:42 am

3 Replies

6925 Views

Last post by acadien
Thu Jan 31, 2013 8:58 pm
[SOLVED] VASP 5 crashes when using several computing nodes (large memory)

Last post by askhetan « Thu Jan 31, 2013 12:52 pm
Replies: 5
by ivasan » Tue Oct 09, 2012 1:34 pm

5 Replies

15186 Views

Last post by askhetan
Thu Jan 31, 2013 12:52 pm
Problem calculating partial DOS

Last post by admin « Wed Jan 30, 2013 3:24 pm
Replies: 3
by keith » Mon May 14, 2007 8:58 am

3 Replies

10659 Views

Last post by admin
Wed Jan 30, 2013 3:24 pm
VASP crashses on DFT-D2 geometry optimization

Last post by admin « Wed Jan 30, 2013 12:10 pm
Replies: 3
by ermd » Fri Apr 08, 2011 10:27 am

3 Replies

6128 Views

Last post by admin
Wed Jan 30, 2013 12:10 pm
Does the dos bug exist in vasp 5.2 or older version?

Last post by sailorzh « Sun Jan 27, 2013 3:58 pm
Replies: 2
by sailorzh » Fri Jan 25, 2013 9:31 am

2 Replies

3742 Views

Last post by sailorzh
Sun Jan 27, 2013 3:58 pm
WAVECAR header corrupted after wavefunction rotation

Last post by zhuzhenhua « Sat Jan 26, 2013 11:24 am
Replies: 5
by dimaslave » Tue Jul 20, 2010 4:52 am

5 Replies

9258 Views

Last post by zhuzhenhua
Sat Jan 26, 2013 11:24 am
DOS calculation stops after "aborting loop because EDIFF is reached "

Last post by gevolo « Wed Jan 23, 2013 11:44 am
Replies: 4
by gevolo » Fri Jun 08, 2012 11:09 am

4 Replies

12163 Views

Last post by gevolo
Wed Jan 23, 2013 11:44 am
metal relaxation fails

Last post by admin « Mon Jan 21, 2013 3:17 pm
Replies: 2
by davionknight » Sat Jan 19, 2013 3:48 am

2 Replies

4612 Views

Last post by admin
Mon Jan 21, 2013 3:17 pm
Dear all,

Last post by hoviet « Fri Jan 18, 2013 12:05 pm
Replies: 2
by hoviet » Wed Jan 02, 2013 10:22 am

2 Replies

3463 Views

Last post by hoviet
Fri Jan 18, 2013 12:05 pm
How to do calculation in non-spin polarized with spin-orbit coupling?

Last post by admin « Thu Jan 17, 2013 2:46 pm
Replies: 1
by leostorm10 » Mon Jan 07, 2013 7:49 am

1 Replies

3691 Views

Last post by admin
Thu Jan 17, 2013 2:46 pm
Huge drift forces

Last post by admin « Tue Jan 15, 2013 4:32 pm
Replies: 1
by MCV » Thu Jan 10, 2013 5:51 pm

1 Replies

3418 Views

Last post by admin
Tue Jan 15, 2013 4:32 pm
Easy technical question

Last post by MCV « Mon Jan 14, 2013 10:58 am
Replies: 2
by EOrestes » Fri Jan 11, 2013 9:03 pm

2 Replies

3637 Views

Last post by MCV
Mon Jan 14, 2013 10:58 am
files run ok with VASP4.6, error and crash with VASP5.3

Last post by peterklaver « Thu Jan 10, 2013 11:50 pm
Replies: 1
by peterklaver » Thu Dec 27, 2012 7:26 pm

1 Replies

3701 Views

Last post by peterklaver
Thu Jan 10, 2013 11:50 pm
vasp 5.2.2 Elastic Constants

Last post by tholme « Mon Dec 24, 2012 6:22 pm
Replies: 3
by dpsi » Mon Jul 20, 2009 8:52 am

3 Replies

17207 Views

Last post by tholme
Mon Dec 24, 2012 6:22 pm
ZPOTRF, Sub-Space-Matrix not Hermitian error occur for large systems using MPI, but not serial

Last post by dhfphysics « Mon Dec 17, 2012 7:56 pm
Replies: 1
by dhfphysics » Mon Dec 17, 2012 7:49 pm

1 Replies

3678 Views

Last post by dhfphysics
Mon Dec 17, 2012 7:56 pm
Possible Memory Leak when using HSE for Molecular Dynamics

Last post by huanxiong « Mon Dec 17, 2012 3:30 pm
Replies: 1
by lshulen » Thu Dec 13, 2012 12:46 am

1 Replies

3488 Views

Last post by huanxiong
Mon Dec 17, 2012 3:30 pm
Total energy difference between VASP4.6 et VASP5.2

Last post by peterklaver « Fri Dec 14, 2012 5:56 am
Replies: 10
by boris » Wed Nov 24, 2010 3:03 pm

10 Replies

10909 Views

Last post by peterklaver
Fri Dec 14, 2012 5:56 am
Problem with scGW in VASP.5.3.2

Last post by gbal « Thu Dec 13, 2012 1:34 pm
Replies: 1
by mythids » Wed Dec 05, 2012 5:31 pm

1 Replies

3498 Views

Last post by gbal
Thu Dec 13, 2012 1:34 pm
problem with 5.3.2 LOPTICS=.TRUE. and KPAR\=1

Last post by admin « Wed Dec 05, 2012 1:32 pm
Replies: 3
by hamelseb » Wed Nov 28, 2012 8:37 pm

3 Replies

4931 Views

Last post by admin
Wed Dec 05, 2012 1:32 pm
KPAR gives different energies from ionic relaxation

Last post by PRCKent « Tue Dec 04, 2012 6:07 am
Replies: 1
by nadelstein » Sat Dec 01, 2012 1:44 am

1 Replies

3610 Views

Last post by PRCKent
Tue Dec 04, 2012 6:07 am

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