MPI problem: n(cpu) limited to 2

[Elmar Gerwalin]

Hello !

I succesfully compiled molpro -mpp for an MPI environment
(details of that is a different story) and
now can start

molpro -n 2 < input

but a #cpu greater than 2 fails. The output follows below.
Other MPI programs run succesfully up to 12 cpus.

Is the problem due to a mis-configuration of molpro,
one of the libraries (tcgmsg-mpi,....) or to something  else ?

I'd be glad if you could help me.

Bye
Elmar


---- the output (shortened a bit) ---

cd /tmp/gerwalin/
/usr/local/mpich/bin/mpirun -np 3 /usr/people/gerwalin/pub/m2002/molpro.exe
ARMCI configured for 3 cluster nodes

 MPP nodes  nproc
 pc31.rhrk.uni-kl    1
 pc32.rhrk.uni-kl    1
 pc33.rhrk.uni-kl    1
 ga_uses_ma=false, calling ma_init with nominal heap. Any -G option will be ignored.

 Primary working directories:    /tmp/gerwalin
 Secondary working directories:  /tmp/gerwalin

 default implementation of scratch files=ga

 Including file /usr/people/gerwalin/pub/m2002/molproi.rc
 ***,Mes CCSD

 memory,30,M

 geomtyp=xyz
 geometry={
  xyz data....
 }
 gdirect
 hf
 ccsd
 ---
1


                                         ***  PROGRAM SYSTEM MOLPRO  ***
                                      Copyright, University of Birmingham, 1997

                                    Version 2002.1 linked 13 Feb 2002 11:14:42


 **********************************************************************************************************************************
 LABEL *   MES CCSD
 Linux-2.4.17/pc31.rhrk.uni-kl.de(i686) 32 bit mpp version                               DATE:  14-Feb-02         TIME: 11:17:20
 **********************************************************************************************************************************
 **********************************************************************************************************************************
 SETTING GEOMTYP        =    XYZ
 SETTING BASIS          =    AUG-CC-PVTZ

 Variable memory set to   30000000 words,  buffer space   230000 words

Bad seek in iow_direct_write; fd=-1, p=4096


 Using spherical harmonics

-10000(s):armci_rcv_req: failed to receive header : 2
-10000(s):armci_rcv_req: failed to receive header : 2
Last System Error Message from Task -10000:: Resource temporarily unavailable
-10001(s):armci_rcv_req: failed to receive header : 2
0:Child process terminated prematurely, status=: 256
0:Child process terminated prematurely, status=: 256
Last System Error Message from Task 0:: Resource temporarily unavailable
Bad seek in iow_direct_write; fd=-1, p=4140
    1
ARMCI master: wait for child process (server) failed:: Resource temporarily unavailable
Received signal 11 Segmentaion violation
-10001(s):armci_rcv_req: failed to receive header : 2
Last System Error Message from Task -10001:: Resource temporarily unavailable
1:Child process terminated prematurely, status=: 256
1:Child process terminated prematurely, status=: 256
Last System Error Message from Task 1:: Resource temporarily unavailable

 ERROR EXIT

---> I entered a "CTRL+C" beacuse the system was hanging...

 **********************************************************************************************************************************
Received signal 2 Interrupt

 ERROR EXIT

 RECURSIVE CALL OF ERROR HANDLER, FILE INFORMATION MAY BE LOST

 EMERGENCY STOP
FORTRAN STOP

 GA ERROR termxy

 GA ERROR

Received signal 2. (no core)
bm_list_2035:  p4_error: interrupt SIGINT: 2
status=0

========================================================
Elmar Gerwalin ,   University of Kaiserslautern,Germany
                   Dept. of Theoretical Chemistry
                   http://iris2.chemie.uni-kl.de
                   elg at chemie.uni-kl.de    0631-205-2749
========================================================