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Eldar Mamin
eldarmamin@gmail.com

drwxr-xr-x  5 root  root      4096 Jul 26 21:17 .
drwxr-xr-x 35 eldar eldar     4096 Jul 27 12:30 ..
-rw-r--r--  1 root  root       927 Dec  7  1996 BENCH01.INP
drwxr-xr-x  2 root  root      4096 Jul 26 20:54 ex
-rwxr-xr-x  1 root  root       556 Jul 26 21:18 f
-rw-r--r--  1 eldar eldar  2457600 Jul 13  2007 fastdiag.ex
-rwxr-xr-x  1 eldar eldar 14781572 Dec  1  2009 firefly
-rw-r--r--  1 root  root       927 Jul 26 18:29 input
-rw-r--r--  1 eldar eldar   479232 Jun  4  2009 p4stuff.ex
-rw-r--r--  1 eldar eldar    36352 Nov 28  2009 pcgp2p.ex
drwxr-xr-x  2 root  root      4096 Jul 26 18:28 storefiles
drwxr-xr-x  2 root  root      4096 Jul 26 21:07 tmp



On Thu Jul 26 '12 8:50pm, Solntsev Pasha wrote
----------------------------------------------
>Could you show me output from ?
>ls -al /home/eldar/FF_openmpi

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