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Eldar Mamin
eldarmamin@gmail.com

eldar@ubuntu60:~/ffo$ ls -al /home/eldar/ffo/
total 17388
drwxrwxr-x  3 eldar eldar     4096 Jul 27 14:04 .
drwxr-xr-x 36 eldar eldar     4096 Jul 27 14:03 ..
-rw-r--r--  1 eldar eldar      901 Jul 27 14:03 BENCH01.INP
-rwxr-xr-x  1 eldar eldar      535 Jul 27 14:04 f2
-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 eldar eldar   479232 Jun  4  2009 p4stuff.ex
-rw-r--r--  1 eldar eldar    36352 Nov 28  2009 pcgp2p.ex
drwxrwxr-x  2 eldar eldar     4096 Jul 27 14:04 tmp
eldar@ubuntu60:~/ffo$ /home/eldar/ffo/f2 BENCH01.INP
/home/eldar/ffo/f2: line 19: /home/eldar/ffo/firefly: No such file or directory
eldar@ubuntu60:~/ffo$



 On Fri Jul 27 '12 11:44am, Eldar Mamin wrote
--------------------------------------------
>Pavel,
>here is it

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