From NWChem
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Posts 9
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| 3:38:14 AM PST - Thu, Nov 11th 2010 |
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Hello, everyone
When I download the binary version of Nwchem 6.0.
tar -xjvf Nwchemxxx.tar.bz2
then I set the nwchem.p:
li localhost.localdomain 2 /home/li/workdir/nwchem6.0/bin/nwchem /home/li/workdir/nwchem6.0/bin/test
run parallel on the example-tcepolar
../../bin/parallel ../../bin/nwchem /home/li/workdir/nwchem6.0/examples/tcepolar/ccsd_polar_small.nw
last the err happen:
warning:::::::::::::: from_compile
NWCHEM_BASIS_LIBRARY is: </home/d3y133/nwchem-releases/nwchem-6.0-linux/src/basis/libraries/>
but file does not exist or you do not have access to it !
And I find the JOB information as below:
====================================
Job information
---------------
hostname = localhost.localdomain
program = /home/li/workdir/nwchem6.0/bin/nwchem
date = Fri Nov 12 02:25:23 2010
compiled = Tue_Nov_09_10:54:15_2010
source = /home/d3y133/nwchem-releases/nwchem-6.0-linux
nwchem branch = 6.0
input = /home/li/workdir/nwchem6.0/examples/tcepolar/ccsd_polar_small.nw
prefix = ccsd_polar_small.
data base = ./ccsd_polar_small.db
status = startup
nproc = 2
time left = -1s
===========================================
So, I believe that the pathway of source of binary version is wrong, but I do not know how modify it?
who can help me?
javacfish
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Edited On 3:45:14 AM PST - Thu, Nov 11th 2010 by Javacfish
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