[molpro-user] Molpro 2006.1 DFT - Segmentation Violation

[bjm0037 at unt.edu]

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 7.3.1.2m 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 = 
//pdir//homedir/bjm0037/molpro/molpro2006.1/bin/molprop_2006_1_i8_tcgmsg.exe.p
Creating: host=almlof-priv, user=root,
           
file=/homedir/bjm0037/molpro/molpro2006.1/bin/molprop_2006_1_i8_tcgmsg.exe, 
port=63991
au2o_optdftecp1.test: ERRORS DETECTED: non-zero return code ... inspect output