I compile vasp on our IBM p575 server using makefile.rs6000(using OS :AIX 3.5 ML6) , but when
i am running the task(INCAR file option "IBRION = 6"), i get a core file.
the detail information is: (INCAR file option to "IBRION=1" when the Normal operation)
LABEL:CORE_DUMP
IDENTIFIER:40E9A4E1
Date/Time: Sat Mar 15 22:00:36 KORST 2014
Sequence Number: 36026
Machine Id: 00C9127F4C00
Node Id: alice-01
Class: S
Type: PERM
Resource Name: SYSPROC
Description
SOFTWARE PROGRAM ABNORMALLY TERMINATED
Probable Causes
SOFTWARE PROGRAM
User Causes
USER GENERATED SIGNAL
Recommended Actions
CORRECT THEN RETRY
Failure Causes
SOFTWARE PROGRAM
Recommended Actions
RERUN THE APPLICATION PROGRAM
IF PROBLEM PERSISTS THEN DO THE FOLLOWING
CONTACT APPROPRIATE SERVICE REPRESENTATIVE
Detail Data
SIGNAL NUMBER
11
USER'S PROCESS ID:
70294
FILE SYSTEM SERIAL NUMBER
13
INODE NUMBER
1503470
PROCESSOR ID
28
CORE FILE NAME
/xtemp/joker12/2/fe-h/fe128h/coredir.29/core
PROGRAM NAME
vasp
STACK EXECUTION DISABLED
0
COME FROM ADDRESS REGISTER
ADDITIONAL INFORMATION
??
??
??
??
??
__start 9C
Unable to generate symptom string.
Can someone sort out what the problem is?
(I'm using GPFS filesystem)
**vasp .err file
ERROR: 0031-250 task 51: Segmentation fault
ERROR: 0031-250 task 8: Segmentation fault
ERROR: 0031-250 task 23: Segmentation fault
ERROR: 0031-250 task 10: Segmentation fault
...
.
vasp version 5.2.12 (32bit, 64bit) and 5.3.3 (32bit, 64bit), using tested.
attached file.( vasp version 5.2.12(64bit)) input.zip => job submit file , output.zip => job output file.
Operational test of the INCAR file when IBRION 1 and 6,
total_tasks 32 (core) and four kinds of 64 when tested.
("ib1" folder : IBRION=1 32core, "64ib1" folder : IBRION=1 64core, "ib6" folder : IBRION=6 32core, "64ib6" folder : IBRION=6 64core)
ib6 folder "segment fault" error message.(INCAR file IBRION 6)
64ib6 folder "OUTCAR" at the bottom of the file,(INCAR file IBRION 6, 64core)
Error EDDDAV: Call to ZHEGV failed. Returncode = 197 2 128
Confirmation message, and will be judged abnormal.
[alice-a:root]/xtemp/joker12/1/test1/ib6 > ls
CHG INCAR WAVECAR coredir.13 coredir.2 coredir.26 coredir.4
CHGCAR KPOINTS XDATCAR coredir.14 coredir.20 coredir.27 coredir.5
CONTCAR OSZICAR coredir.0 coredir.15 coredir.21 coredir.28 coredir.6
DOSCAR OUTCAR coredir.1 coredir.16 coredir.22 coredir.29 coredir.7
DYNMAT PCDAT coredir.10 coredir.17 coredir.23 coredir.3 coredir.8
EIGENVAL POSCAR coredir.11 coredir.18 coredir.24 coredir.30 coredir.9
IBZKPT POTCAR coredir.12 coredir.19 coredir.25 coredir.31 vasprun.xml
ib6 coredir.0 ~ coredir.31 file folder capacity is 18 GB. attached does not.
I wait for a good answer.
** vasp 5.3.5 version of the IBM Power unix (aix 5.3) Please ensure that the installation is supported.
thank you.
https://docs.google.com/a/mirhenge.com/ ... =drive_web
https://docs.google.com/a/mirhenge.com/ ... =drive_web
probelm with compiling on IBM p575 server when IBRION=6
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probelm with compiling on IBM p575 server when IBRION=6
Last edited by ejsong on Mon May 12, 2014 1:34 am, edited 1 time in total.
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probelm with compiling on IBM p575 server when IBRION=6
we have never been reported such an error (using IBRION=6) before, I suppose it is not vasp-related.
please check whether your INPUT geometry is reasonable, this may lead to the ZHEGV error
please check whether your INPUT geometry is reasonable, this may lead to the ZHEGV error
Last edited by admin on Tue May 13, 2014 2:02 pm, edited 1 time in total.
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probelm with compiling on IBM p575 server when IBRION=6
Our POSCAR is like this, and it worked when we tried it on the other machine, but if it has a error, could you let me know?
Fe
1.00000000000000000
2.8262815376352788 0.0000000000000000 0.0000000000000000
0.0000000000000000 2.8262815376352788 0.0000000000000000
0.0000000000000000 0.0000000000000000 2.8262815376352788
Fe
2
Direct
0.0000000000000000 0.0000000000000000 0.0000000000000000
0.5000000000000000 0.5000000000000000 0.5000000000000000
Fe
1.00000000000000000
2.8262815376352788 0.0000000000000000 0.0000000000000000
0.0000000000000000 2.8262815376352788 0.0000000000000000
0.0000000000000000 0.0000000000000000 2.8262815376352788
Fe
2
Direct
0.0000000000000000 0.0000000000000000 0.0000000000000000
0.5000000000000000 0.5000000000000000 0.5000000000000000
Last edited by ejsong on Wed May 21, 2014 12:42 am, edited 1 time in total.