Vasp5.2 installation in IBM p575+ AIX5.3

Message

ravi · #1 Post by **ravi** » Thu Feb 04, 2010 11:31 am

Hi,

I have problem in installing vasp5.2.2 in http://www.notur.no/hardware/njord/ .
I am able to compile the code without any problem using the supplied Makefile for rs6000. But, when I do test calculations I am getting the following error message in the err file

###
ATTENTION: 0031-408 16 tasks allocated by LoadLeveler, continuing...
ERROR: 0031-250 task 12: Trace/BPT trap
ERROR: 0031-250 task 3: Trace/BPT trap
ERROR: 0031-250 task 6: Trace/BPT trap
....
###

the out file contain

###
running on 16 nodes
distr: one band on 1 nodes, 16 groups
vasp.5.2.2 15Apr09 complex
POSCAR found : 1 types and 1 ions
LDA part: xc-table for Ceperly-Alder, standard interpolation
POSCAR, INCAR and KPOINTS ok, starting setup
WARNING: small aliasing (wrap around) errors must be expected
FFT: planning ...( 1 )
reading WAVECAR
WARNING: random wavefunctions but no delay for mixing, default for NELMDL
###

I have also tried to use the makefile.ibm_hlrn to compile the code. Unfortunately I am getting the message

###
make: 1254-002 Cannot find a rule to create target OFLAG from dependencies.
Stop.
###

Do you know how to get working version of vasp5.2.2 in IBM machines?

Best regards
Ravi

ravi · #2 Post by **ravi** » Tue Feb 09, 2010 8:53 am

Finally I am able to install vasp in BM p575+ AIX5.3 after making some modification in three routines.

#3 Post by **admin** » Wed Feb 10, 2010 8:03 am

use the makefile for the compiler you have installed, (probably either
makefile.ibm_hlrn or makefile.rs6000