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Solntsev Pasha
solntsev@univ.kiev.ua

Put all *.ex files and binary file of FF into folder $HOME/FF8.

I don't like to make a mass in OS with PATH variable, i would suggest to make a script
#!/bin/bash

# Input format
# Go to dirrectory with your input file
#
# Basis file should be in the same folder as an input file

# Input/Output files
INPUT=$1
OUTPUT=${INPUT%*.inp}.out


WORK_DIR=$PWD # Directory with input file
TEMP_DIR=$HOME/tmp # scratch folder
BASIS_FILE=$2      # If you use external basis set
FF8_HOME=$HOME/FF8 # Directory with FF installed

# Executing line
$FF8_HOME/firefly -r -p -f -stdext -ex $FF8_HOME -i $WORK_DIR/$INPUT -o $WORK_DIR/$OUTPUT -t $TEMP_DIR -b $WORK_DIR/$BASIS_FILE


Try it first.

Pavel.


On Thu Jul 26 '12 6:54pm, Eldar Mamin wrote
-------------------------------------------
>Hi all
>i cannot execute firefly

>OS: 3.2.0-23-generic #36-Ubuntu SMP Tue Apr 10 20:39:51 UTC 2012 x86_64 x86_64 x86_64 GNU/Linux
>my PC: notebook ASUS core-i3

>i execute firefly by following string from the dir where it lay

>/opt/openmpi1.2.8.exe/bin/mpirun -n 2 /home/eldar/FF_openmpi/firefly -i BENCH01.INP -o asdf.OUT -t /home/eldar/storefiles -ex /home/eldar/ex

>i have exported PATH, here is the output of ECHO

>/opt/openmpi1.2.8.exe/bin:/home/eldar/FF_openmpi:/home/eldar/FF_openmpi/:/opt/openmpi1.2.8.exe/bin:/usr/local/sbin:/usr/local/bin:/usr/sbin:/usr/bin:/sbin:/bin

>i did chmod a+x firely, i launch from "root"

>and ALWAYS i get

>--------------------------------------------------------------------------
>Could not execute the executable "/home/eldar/FF_openmpi/firefly": No such file or directory

>This could mean that your PATH or executable name is wrong, or that you do not
>have the necessary permissions. Please ensure that the executable is able to be
>found and executed.

>--------------------------------------------------------------------------
>--------------------------------------------------------------------------
>Could not execute the executable "/home/eldar/FF_openmpi/firefly": No such file or directory

>This could mean that your PATH or executable name is wrong, or that you do not
>have the necessary permissions. Please ensure that the executable is able to be
>found and executed.

>--------------------------------------------------------------------------
>
>
>i tried without options  ./firefly >test.out 2>&1
>и так
>./firefly -o test.out

>-the same error.
>
>
>
>