| 3:14:22 AM PST - Wed, Jan 13th 2016 |
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6.6 version
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Now I try to compile 6.6 version
System: Red Hat Enterprise Linux Client 7.2
Memory: 5.7 GiB
AMD Phenom(tm) 9750 Quad-Core Processor × 4
OS type: 64-bit
Graphics: Gallium 0.4 on AMD RV670
GNOME: Version 3.14.2
Disk: 113.6 GB
Installed packages:
python-devel gcc-gfortran openmpi-devel tcsh make
mkdir ~/source
cd ~/source
tar xvzf /home/AnastasiaSycheva/Downloads/Nwchem-6.6.tar.gz
cd nwchem-6.6
setenv NWCHEM_TOP `pwd`
cd $NWCHEM_TOP/src
export MPI_LOC=/usr/lib64/openmpi
export USE_MPI=y
export NWCHEM_TARGET=LINUX64
export USE_PYTHONCONFIG=y
export PYTHONVERSION=2.7
export PYTHONHOME=/usr
export USE_INTERNALBLAS=y
export LD_LIBRARY_PATH=/usr/lib64/openmpi/lib/:$LD_LIBRARY_PATH
export PATH=$PATH:/usr/bin:/usr/sbin:/usr/local/:/usr/lib64/openmpi/bin/
export PATH=/usr/lib64/openmpi/bin/:$PATH
make nwchem_config NWCHEM_MODULES="all python"
make
/home/AnastasiaSycheva/source/nwchem-6.6/src/data/default.nwchemrc:
nwchem_basis_library /home/AnastasiaSycheva/source/nwchem-6.6/src/basis/libraries/
nwchem_nwpw_library /home/AnastasiaSycheva/source/nwchem-6.6/src/nwpw/libraryps/
ffield amber
amber_1 /home/AnastasiaSycheva/source/nwchem-6.6/src/data/amber_s/
amber_2 /home/AnastasiaSycheva/source/nwchem-6.6/src/data/amber_q/
amber_3 /home/AnastasiaSycheva/source/nwchem-6.6/src/data/amber_x/
amber_4 /home/AnastasiaSycheva/source/nwchem-6.6/src/data/amber_u/
spce /home/AnastasiaSycheva/source/nwchem-6.6/src/data/solvents/spce.rst
charmm_s /home/AnastasiaSycheva/source/nwchem-6.6/src/data/charmm_s/
charmm_x /home/AnastasiaSycheva/source/nwchem-6.6/src/data/charmm_x/
ln -s /home/AnastasiaSycheva/source/nwchem-6.6/src/data/default.nwchemrc .nwchemrc
And finally I have the same error:
Program received signal SIGSEGV: Segmentation fault - invalid memory reference.
Backtrace for this error:
- 0 0x7FC65CB02467
- 1 0x7FC65CB02AAE
- 2 0x7FC65BC4366F
- 3 0x7FC65BC942D1
- 4 0x7FC65B736C8B
- 5 0x7FC65D474157
- 6 0x7FC65D4964E2
- 7 0x2BB98F9 in tcgi_alt_pbegin
- 8 0x2BB99AF in tcgi_pbegin
- 9 0x2BB8AE3 in pbeginf_
- 10 0x4F4519 in nwchem at nwchem.F:84
Segmentation fault (core dumped)
Help me, please.
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