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Parallelization/MPI problem on Cray XC30/40 (hangs)

Last post by ahampel « Wed Oct 26, 2016 9:49 am
Replies: 2
by ahampel » Wed Feb 24, 2016 4:36 pm

2 Replies

7467 Views

Last post by ahampel
Wed Oct 26, 2016 9:49 am
Random performance lost

Last post by fish « Thu Oct 06, 2016 5:18 pm
Replies: 1
by jun » Mon Jun 27, 2016 2:48 am

1 Replies

5004 Views

Last post by fish
Thu Oct 06, 2016 5:18 pm
Compatibility between IBRION=6 and LEPSILON

Last post by jzwanzig « Thu Sep 15, 2016 5:09 pm
Replies: 2
by jzwanzig » Thu Sep 01, 2016 7:50 pm

2 Replies

5996 Views

Last post by jzwanzig
Thu Sep 15, 2016 5:09 pm
About Patches

Last post by admin « Wed Aug 31, 2016 8:07 am
Replies: 3
by zhangwb@csust.edu.cn » Tue Aug 30, 2016 10:42 am

3 Replies

6234 Views

Last post by admin
Wed Aug 31, 2016 8:07 am
Segmentation fault with empty POSCAR

Last post by alex « Thu Aug 25, 2016 9:57 am
Replies: 1
by mwistey » Wed Aug 10, 2016 10:56 pm

1 Replies

4951 Views

Last post by alex
Thu Aug 25, 2016 9:57 am
Nonlocal vdW functionals with non-collinear (LSORB)

Last post by Infant « Fri Jul 29, 2016 1:36 pm
Replies: 2
by Infant » Thu Jul 28, 2016 10:50 am

2 Replies

7887 Views

Last post by Infant
Fri Jul 29, 2016 1:36 pm
average potential at core in vasprun

Last post by Emmanuel « Wed Jul 20, 2016 1:07 pm
Replies: 2
by Emmanuel » Wed Jul 13, 2016 3:27 pm

2 Replies

5375 Views

Last post by Emmanuel
Wed Jul 20, 2016 1:07 pm
Can't activate Van Der Waals calculation in 5.4.1

Last post by admin « Wed Jul 13, 2016 10:24 am
Replies: 1
by chelman » Thu Jun 30, 2016 9:51 pm

1 Replies

5464 Views

Last post by admin
Wed Jul 13, 2016 10:24 am
deepest layers comes on top of surface after vacuum space

Last post by tfrankcombe « Wed Jul 13, 2016 4:25 am
Replies: 3
by venkatramana » Fri Jun 24, 2016 8:42 am

3 Replies

6368 Views

Last post by tfrankcombe
Wed Jul 13, 2016 4:25 am
VASP_POSCAR_File

Last post by admin « Mon Jul 11, 2016 10:22 am
Replies: 1
by vj181 » Sun Jul 10, 2016 4:15 am

1 Replies

4355 Views

Last post by admin
Mon Jul 11, 2016 10:22 am
Unphysical value of DOS : EMIN, EMAX, NEDOS

Last post by jnokelai « Mon Jun 27, 2016 3:05 pm
Replies: 1
by deepashri » Mon Jun 27, 2016 12:04 pm

1 Replies

6410 Views

Last post by jnokelai
Mon Jun 27, 2016 3:05 pm
During ionic relaxation, energy jumps dramatically

Last post by sjtuzhanglei « Mon Jun 13, 2016 4:33 pm
Replies: 2
by sjtuzhanglei » Sat Jun 11, 2016 10:44 pm

2 Replies

5800 Views

Last post by sjtuzhanglei
Mon Jun 13, 2016 4:33 pm
BUG in DOS calculation and vasprun.xml wrinting

Last post by admin « Fri Jun 10, 2016 9:30 am
Replies: 1
by pmignon » Thu Jun 09, 2016 4:47 pm

1 Replies

4621 Views

Last post by admin
Fri Jun 10, 2016 9:30 am
Pseudopotential of Nd and Sm

Last post by admin « Thu Jun 02, 2016 1:42 pm
Replies: 3
by aina2412 » Tue May 31, 2016 11:46 am

3 Replies

6963 Views

Last post by admin
Thu Jun 02, 2016 1:42 pm
Correct use of POTCAR files

Last post by mikhail « Wed Jun 01, 2016 12:02 pm
Replies: 2
by mikhail » Mon May 30, 2016 2:58 pm

2 Replies

12594 Views

Last post by mikhail
Wed Jun 01, 2016 12:02 pm
How to get total walltime if the calculation is not finished

Last post by Neutrino « Fri May 20, 2016 2:24 am
Replies: 1
by sjtuzhanglei » Wed May 18, 2016 6:25 pm

1 Replies

5897 Views

Last post by Neutrino
Fri May 20, 2016 2:24 am
Bugs with pointers in structures

Last post by admin « Mon May 02, 2016 1:10 pm
Replies: 1
by tfrankcombe » Mon May 02, 2016 4:09 am

1 Replies

4633 Views

Last post by admin
Mon May 02, 2016 1:10 pm
DFT+U periodicity-very confused results

Last post by jbliu « Fri Apr 29, 2016 12:38 pm
Replies: 2
by jbliu » Tue Apr 26, 2016 1:15 pm

2 Replies

5921 Views

Last post by jbliu
Fri Apr 29, 2016 12:38 pm
Having a problem running a job - files stop updating

Last post by admin « Tue Apr 26, 2016 9:48 am
Replies: 1
by a1k2112 » Fri Feb 26, 2016 9:17 pm

1 Replies

5560 Views

Last post by admin
Tue Apr 26, 2016 9:48 am
Lattice-Dependant SIGSEV

Last post by admin « Tue Apr 26, 2016 9:41 am
Replies: 1
by doylead » Fri Mar 18, 2016 12:13 am

1 Replies

5046 Views

Last post by admin
Tue Apr 26, 2016 9:41 am

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