vasp 46 and opteron

Message

davidloffreda · #1 Post by **davidloffreda** » Mon Mar 14, 2005 8:34 am

Hello,

We are planning to buy an opteron parallel cluster and we wonder whether
anybody has already compiled vasp on such a platform using mpi environment.
All experiences about such a compilation are welcome...

Thanx
David.

atogo · #2 Post by **atogo** » Tue Mar 22, 2005 7:58 am

I could run under these enviroment though it has not been tested enough yet.

vasp 4.6.21 (I could not run for vasp 4.6.26)
AMD64 +3500
mpich-1.2.6
ifce 8.1
cluster mkl 7.2
Linux version 2.6.5-1.358 (bhcompile@dolly.build.redhat.com) (gcc version 3.3.3 20040412 (Red Hat Linux 3.3.3-7)) #1 Sat May 8 09:01:26 EDT 2004

% file vasp
vasp: ELF 64-bit LSB executable, AMD x86-64, version 1 (SYSV), for GNU/Linux 2.4.0, dynamically linked (uses shared libs), not stripped

in makefile
OFLAG=-O2 -xW -axW -tpp7

<span class='smallblacktext'>[ Edited Tue Mar 22 2005, 09:02AM ]</span>

taksys · #3 Post by **taksys** » Wed Mar 30, 2005 8:42 am

vasp 4.6.26 seems to run ok on opteron when compiled with the pathscale compiler, using the acml library. i only ran one benchmark yet though, no real job.

good luck!