AMBER: difficulties with antechamber: tests dont even run

From: frustrated modeller <amber.jam.gmail.com>
Date: Wed, 19 Jul 2006 18:06:36 -0500

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


-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber.scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu

Received on Sun Jul 23 2006 - 06:07:04 PDT
Custom Search