10:33:29 PM PST - Sun, Dec 10th 2017 |
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Dear Dr. Edoapra,
I applied the patch which you have mentioned. In addition, I modified the Python library details as shown below and recombiled nwchem.
export PYTHONHOME=/usr/lib/python2.7
export PYTHONVERSION=2.7
export PYTHONCONFIGDIR=config-x86_64-linux-gnu
>make clean
> make nwchem_config
> make 64_to_32
> make cc=icc FC=gfortran
Although I have got the nwchem binary, when I ran the n2-test run (input file -see the first post), I again got the similar segmentation fault error.
Program received signal SIGSEGV: Segmentation fault - invalid memory reference.
Backtrace for this error:
- 0 0x7f5a53569ed7 in ???
- 1 0x7f5a5356910d in ???
- 2 0x7f5a52c897ef in ???
- 3 0x7f5a538dd244 in ???
- 4 0x55c995bf91ab in ???
- 5 0x55c995bf925c in ???
- 6 0x55c995bf80cf in ???
- 7 0x55c9932f32de in nwchem
at /home/ravi/Desktop/nwchem-6.6/src/nwchem.F:84
- 8 0x55c9932f3e84 in main
at /home/ravi/Desktop/nwchem-6.6/src/nwchem.F:369
Segmentation fault (core dumped)
How can I solve this problem?
Thank you.
KRISH
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