[molpro-user] MOLPRO GPU Support.

[Jyh-Shyong]

Hi,

I installed Molpro 2010.1 on our GPU-enabled cluster, for serial 
version, I used command:

./configure  -gfortran -gcc -i8 -nvcc -x86_64

to generate file CONFIG, the compilation completed without error. 
However, when I ran the test case
in directory testjobs (in this case, glypep1_vdz_gpu.test)

...
  Checking input...
  Passed
1


                                          ***  PROGRAM SYSTEM MOLPRO  ***
                          Copyright, University College Cardiff 
Consultants Limited, 2008

                                     Version 2010.1 linked 5 Mar 2011 
11:44:23


  **********************************************************************************************************************************
  LABEL *   glypep1
  Linux-2.6.31.14-0.6-desktop/gc3(x86_64) 64 bit serial 
version                           DATE: 05-Mar-11          TIME: 17:56:04
  **********************************************************************************************************************************

  Patch level:      19
  **********************************************************************************************************************************

  *** No errors in glypep1_vdz_gpu.test. (skipped)
  **********************************************************************************************************************************

Am I missing something?  No other output was generated.

The OS is OpenSuSE 11.2, CUDA version is 3.2, the computing node has 4 
C1070 cards.
I also built the parallel version with GPU-enabled with command:

./configure -gfortran -gcc -i8 -nvcc -mpp -mppbase /opt/ga501

and I have not test it yet.  Thanks for any suggestion and advice.

Jyh-Shyong Ho, Ph.D.
Research Scientist
National Center for High Performance Computing
Hsinchu, Taiwan, ROC