Hi,
I have compiled molpro2002.3 on an IBM Power4 machine :
AIX 5.1.0.0
xlf 8.1.0.2
I have applyed all the patches present at today excpet the ones related to linux.
I have configured it with:
./configure -i8 -largefiles
(BTW he same happends with -i4 -largefiles)
The compile run almost fine, except for the "trap" patch I have done by hand (renaming trap to trappa in both C and fortran sources: in xlf 8.1 "trap" is the unhappy name of a custom instrinsic).
When I submit a simple geometry optimization it suddenly stops the execution after the SCF loop with the error: Received signal 11 Segmentation violation
Below you can find the input and the output files. The log file has size of 0 bytes.
Am I doing something odd, or is there some bug? This optimization run just fine on a linux box.
Many thanks for any help
Kind regards,
Sigismondo Boschi
---
***, FLUOROCLOROETILENE geometry optimization (cartesian coord)
memory,90,M
basis=vtz
L1=1.3020 ang
L2=1.2900 ang
L3=1.2280 ang
L4=1.0130 ang
A1=127.74 degree
A2=123.42 degree
A3=110.01 degree
geometry={F1
C2 1 L1
N3 2 L3 1 A1
F4 2 L2 3 A2 1 180.0
H5 3 L4 2 A3 4 180.0}
int
hf
optg
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