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<tt>Hi Christopher,<br>
<br>
Obviously, some subtle changes had a large effect. Could you
please send us the linux64.ifc.byterecl file and the
install.standard.log file. If available, it would be good to see
the corresponding previous, working files. <br>
<br>
Best regards, Hans<br>
<br>
On 7/19/2016 10:16 PM, Christopher Malbon wrote:
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<div>All,<br>
<br>
</div>
mcscf.x routine fails with the following error message:<br>
end of hernew<br>
IGNORING BNDCHK<br>
*** End of DALTON calculation ***<br>
end of mcdrt<br>
end of mcuft<br>
bummer (fatal): sifd1: <a href="http://ifmt.ne.info">ifmt.ne.info</a>(6)0<br>
bummer<br>
<br>
</div>
This bummer error is called during the read of the integral
records after ulab16 unpacks the buffer.<br>
<div><br>
<div>I am using the Col7.0_2015_01_15 release, building from
source.<br>
</div>
<div>I am using the cray intel fortran wrappers on the NERSC
cori machine.<br>
</div>
<div>I had to change the cpp flags omitting the -C option.
(In gcc 4.8.x, cpp -C includes the header file
stdc-predef.h which prints the GNU license at the top of
each preprocessed file commented C-style, which fortran
compilers do not handle.) Other than this change, no other
changes were made - with the exception of 'ftn' and 'cc'
for 'ifort' and 'icc', respectively.<br>
<br>
</div>
<div>I am installing using machine.cfg/linux64.ifc.byterecl.<br>
<br>
</div>
<div>Thanks<br>
</div>
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<div><br>
Christopher L Malbon<br>
Yarkony Group<br>
</div>
Department of Chemistry<br>
</div>
The Johns Hopkins University<br>
<a href="mailto:cmalbon1@jhu.edu" target="_blank">cmalbon1@jhu.edu</a><br>
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