[molpro-user] Molpro 2006.1 DFT - Segmentation Violation

bjm0037 at unt.edu bjm0037 at unt.edu
Mon Jul 31 17:50:37 BST 2006

Dear molpro users,

I have succesfully compiled and linked a parallel version of 
Molpro2006.1 on our SGI Origin 3900 machine.    The OS is IRIX64 6.5 
and the compiler is the MIPSpro compiler.  However, when I ran 
the testjobs, I got a segmentation violation error for all of the DFT 
jobs.  I have included the error that appears at the end of the outputs 
below.  Any help would be appreciated.

ITERATION    DDIFF          GRAD             ENERGY        2-EL.EN.     
        DIPOLE MOMENTS         DIIS
Generated new metagrid on record  1801.2 with target accuracy 1.0E-03 
and 1111 points in CPU time    0.3
Computed new grid on record 1801.1 in CPU time    0.3
0:Segmentation Violation error, status=: 11
0: ARMCI aborting 11 (0xb).
tmp = 
Creating: host=almlof-priv, user=root,
au2o_optdftecp1.test: ERRORS DETECTED: non-zero return code ... inspect output

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