AMBER Archive (2006)

Subject: AMBER: difficulties with antechamber: tests dont even run

From: frustrated modeller (amber.jam_at_gmail.com)
Date: Wed Jul 19 2006 - 18:06:36 CDT

Hello.
I was trying to use antechamber from a newly installed amber9. When I
compiled amber9 all seemed fine, however at that time I only tested basic
sander. When I came to test antechamber there were errors. Bellow I will
show you what happens when I try Run.tp and Run.sustiva:

ATTENTION

The Mulliken charges were generated by divcon in amber9, you may get
different result if different QM program is applied

Total number of electrons: 58; net charge: 0

Running: $AMBERHOME/exe/divcon
forrtl: severe (174): SIGSEGV, segmentation fault occurred
Error: cannot run "$AMBERHOME/exe/divcon" of bcc() in charge.c properly,
exit
Cannot open file tp.mol2, exit
cat: tp.mol2: No such file or directory
diffing tp.mol2.save with tp.mol2
possible FAILURE: check tp.mol2.dif
==============================================================
cat: frcmod: No such file or directory
diffing frcmod.save with frcmod
possible FAILURE: check frcmod.dif
==============================================================
prmcrd: Command not found.

ATTENTION

The Mulliken charges were generated by divcon in amber9;
you may get different results if a different QM program is applied

Total number of electrons: 160; net charge: 0

Running: $AMBERHOME/exe/divcon
forrtl: severe (174): SIGSEGV, segmentation fault occurred
Error: cannot run "$AMBERHOME/exe/divcon" of bcc() in charge.c properly,
exit
Cannot open file sustiva.mol2, exit
cat: sustiva.mol2: No such file or directory
diffing sustiva.mol2.save with sustiva.mol2
possible FAILURE: check sustiva.mol2.dif
==============================================================
cat: frcmod: No such file or directory
diffing frcmod.save with frcmod
possible FAILURE: check frcmod.dif
==============================================================

I thought this may mean the build was not as successful as I had hoped. It
seems that maybe divcon is not working.

I have attatched the config.h file I used for the compilation.

What did i do wrong?

Sincerely,

Frustrated


  • application/octet-stream attachment: config.h
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