[molpro-user] Running molpro2008.1 in parallel doesn't work
Benj FitzPatrick
benjfitz at uchicago.edu
Sat Mar 28 16:37:52 GMT 2009
Vitaliy,
I use the pathscale compiler, goto blas, and lapack 3.2. The commands I used
for GA and molpro are below and I attached my molpro CONFIG file. I built this
on gentoo for amd64 with gcc-4.2.4 and patchlevel 31.
I hope this helps,
Benj
gmake TARGET=LINUX64 FC=pathf90 BLAS_I8=yes NATIVE_BLAS=no \
BLAS_LIB=/ab/libs/libgoto1.26_path_4.a LARGE_FILES=yes>./make.log
./configure -batch -pathf90 -mpp -mppbase
/ab/ga/ga4.1.1-large-i8_path_goto1.26_4 -instroot /cluster/molprop-2008.1_10_4
-var "INSTHTML=/cluster/molprop-2008.1_10_
4/html" -var "BLASLIB=-L/ab/libs -lgoto1.26_path_4" -var "LAPACKLIB=-L/ab/libs
-llapack3.2.0_path_goto1.26_4"
---- Original message ----
>Date: Fri, 27 Mar 2009 18:12:13 +0300 (MSK)
>From: "Vitaliy V. Koval" <smit at ipoc.rsu.ru>
>Subject: [molpro-user] Running molpro2008.1 in parallel doesn't work
>To: molpro-user at molpro.net
>
>Hello, molpro users,
>
>Can anyone provide parameters of the successful installation for GA-4-1-1
>and molpro2008.1 under SLES10 (or any others), please?
>
>On our cluster compilation has been completed, but 'make tuning', 'make
>testing' etc are sleeping and never end. (GA testing have been
>successfully completed.)
>
>With best wishes,
>Vitaliy Koval.
>
>
>_______________________________________________
>Molpro-user mailing list
>Molpro-user at molpro.net
>http://www.molpro.net/mailman/listinfo/molpro-user
-------------- next part --------------
A non-text attachment was scrubbed...
Name: CONFIG
Type: application/octet-stream
Size: 3051 bytes
Desc: not available
URL: <http://www.molpro.net/pipermail/molpro-user/attachments/20090328/e3997c97/attachment.obj>
More information about the Molpro-user
mailing list