Hi,

This is yunhuang from Dr. Kennedy's lab wiring to you about one program Rosetta running on hpc cluster. It used to work, but it is not working right now. I submitted the command script as the following:
#!/bin/bash -l
#PBS -N Rosetta
#PBS -l nodes=16:ppn=2
#PBS -j oe
#### -m eab
#PBS -l walltime=480:0:0
#PBS -m eab
#PBS -V
#PBS -q parallel


module load gcc-4.1.1
module load rosetta

cd /home/yangy9/bvr155/Rosetta/rosetta_xplor

time mpiexec rosetta.gccmpi bb t000 _ -relax -farlx -l input10.list -fa_input -ex1 -ex2 -random_loop -loop_skip_rate 0.3 -short_range_hb_weight 0.50 -long_range_hb_weight 1.0 -farlx_cycle_ratio 1.0 -full_filename -nstruct 1000

I got the error file describing as the following:

Warning: no access to tty (Bad file descriptor).
Thus no job control in this shell.
cat: /software/Modules/3.2.0/miami-default: No such file or directory
ModuleCmd_Load.c(200):ERROR:105: Unable to locate a modulefile for 'gcc-4.1.1'
--------------------------------------------------------------------------
mpiexec was unable to launch the specified application as it could not find an executable:

Executable: rosetta.gccmpi
Node: compute-1-32.local

while attempting to start process rank 0.
--------------------------------------------------------------------------

real    0m1.171s
user    0m0.027s
sys     0m0.017s
~
So, basically some files are updated and directory maybe changed. That's the reason for current problem. I just don't know how to fix it due to my knowledge lack of cluster.

thanks for your time,

yunhuang


-------------------------------------------------
Yunhuang Yang, Ph.D
Department of Chemistry and Biochemistry
Miami University in Oxford
701 E High St
Oxford, OH, 45056
Tel: (617)549-2931
Email: [log in to unmask]