AMBER Archive (2006)

Subject: AMBER: Unable to find mopac charges in divcon.out

From: Rachel (comeonsos_at_googlemail.com)
Date: Thu Nov 23 2006 - 13:31:55 CST

Dear all,

I was trying to compile AMBER8 on IBM-SP4 machines. First of all, I am still
trying to compile the serial part, the compilation was passed with many of
your help (many many thanks), however, when I did the test, I got the
following error message which I still can't solve out:
##########################################################
        cd antechamber/ash; ./Run.ash
Running: /hpcx/home/e39/e39/uq281/amber8/exe/bondtype -i
ANTECHAMBER_BOND_TYPE.A
C -o ANTECHAMBER_BOND_TYPE.AC -f ac -j full

Running: /hpcx/home/e39/e39/uq281/amber8/exe/atomtype -i ANTECHAMBER_AC.AC0
-o
A
NTECHAMBER_AC.AC -p gaff

Total number of electrons: 100; net charge: 0

Running: /hpcx/home/e39/e39/uq281/amber8/exe/divcon
Unable to find mopac charges in divcon.out
  ./Run.ash: Program error
make: 1254-004 The error code from the last command is 1.
Stop.
###########################################################

I have checked the divcon.out file which is in
$AMBERHOME/test/antechamber/ash directory, it is an empty file, there is a
divcon.in file in the same directory and seems fine. Also i have patched all
the bugfixs.

I have spent some time searching in the maillist, haven't got any clues to
fix it. Thank you in advance for any suggestions.

Best regards,

Rachel

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