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Solntsev Pasha
solntsev@univ.kiev.ua

Just copy-paste output.

Pavel.




On Thu Jul 26 '12 8:30pm, Eldar Mamin wrote
-------------------------------------------
>Thanks, Pavel,
> i did such a script now (named "f")
>but it gives me a following error

>./f: line 19: /home/eldar/FF_openmpi/firefly: No such file or directory

>but of course it IS.
>
>
>On Thu Jul 26 '12 7:56pm, Solntsev Pasha wrote
>----------------------------------------------
>>Did you try to start FF on one CPU?

>>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.
>>>
>>>
>>>
>>>