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Alex Granovsky
gran@classic.chem.msu.su

you missed leading space before $CONTRL, $SYSTEM, $BASIS and $FORCE
groups.

Kind regards,
Alex Granovsky



On Wed Apr 16 '14 4:42pm, Vitaly wrote
--------------------------------------
>Dear Dr. Granovsky,
>many thanks for help! Now I get different problem: some mis-interpretation of the basis. Looks like this:
> *** ERROR, ILLEGAL BASIS FUNCTION TYPE=NITROGEN IGAUSS=   7

>I post your message here (addressing my backtrace problem), and also attach output.

>Yours, Vitaly
>
>
>
>
>Dear Vitaly,

>I have tested firefly on your system and found no problems.

>Looking into ff805 directory I was able to identify the source of your problems.
>Most likely you was using -ex switch that was pointed to the same location where
>ex files reside and that was used for calculations. This results in corruption of *.ex
>files as firefly copies read these files from -ex location and writes them to the working
>directory. In your case these  files get overridden by the parts of themselves.

>You always need to store *.ex files separately. Otherwise, you should not use
>-ex  command line option. In the future versions we'll add a check for this condition.

>Hope this helps.

>Kind regards,
>Alex Granovsky
>
>
>
>On Wed Apr 16 '14 1:50pm, Vitaly wrote
>--------------------------------------
>>Dear Dr. Granovsky,
>>I sent the details for connection by e-mail.
>>Yours, Vitaly
>>
>>
>>On Wed Apr 16 '14 12:13pm, Alex Granovsky wrote
>>-----------------------------------------------
>>>Dear Vitaly,

>>>you need to allow ssh connections to your computer from outside
>>>of the world. Most likely, ssh is installed by default but you
>>>may need to check firewall settings.

>>>In addition, you need to create account for me. During my tests,
>>>I will need gdb and strace so you may need to install them.    

>>>All the best,
>>>Alex Granovsky
>>>
>>>
>>>
>>>On Wed Apr 16 '14 3:34am, Vitaly wrote
>>>--------------------------------------
>>>>Dear Dr. Granovsky,

>>>>I can connect that computer to a separate IP. What software I need to install to make the connection possible? I am running Ubuntu (64 bit).
>>>>Once I get your reply and arrange everything, I will send you an e-mail.

>>>>Yours, Vitaly
>>>>
>>>>
>>>>On Tue Apr 15 '14 1:05pm, Alex Granovsky wrote
>>>>----------------------------------------------
>>>>>Dear Vitaly,

>>>>>is it possible to get remote access to this computer system?

>>>>>Kind regards,
>>>>>Alex Granovsky
>>>>>
>>>>>
>>>>>On Tue Apr 15 '14 11:47am, Vitaly wrote
>>>>>---------------------------------------
>>>>>>Dear Dr. Granovsky,

>>>>>>attached is the dump file

>>>>>>Yours, Vitaly
>>>>>>
>>>>>>
>>>>>>On Tue Apr 15 '14 11:01am, Alex Granovsky wrote
>>>>>>-----------------------------------------------
>>>>>>>Dear Vitaly,

>>>>>>>to try to help you I need a more complete debug output

>>>>>>>I need a dump of registers which is printed before a stack trace.

>>>>>>>You can get the debug messages in a file using:

>>>>>>>./firefly801 -i cbmim_ccpvtz.inp -o cbmim_ccpvtz.out -f -stdext -b cc-pvtz.lib -p4pg procgrp 2>&1 >dump.out
>>>>>>>
>>>>>>>
>>>>>>>Kind regards,
>>>>>>>Alex Granovsky

>>>>>>>On Tue Apr 15 '14 5:16am, Vitaly wrote
>>>>>>>--------------------------------------
>>>>>>>>Dear colleagues,
>>>>>>>>I try to run FF, and get "Stack backtrace" error. The last few lines of output message:
>>>>>>>>Stack backtrace

>>>>>>>>esp :: 0xffd8da18, ebp :: 0xffd8de58, eip :: 0x080a4e54
>>>>>>>>esp :: 0xffd8de58, ebp :: 0xffd8df88, eip :: 0x080a2de4
>>>>>>>>esp :: 0xffd8df88, ebp :: 0xffd8dfa8, eip :: 0x080a2f61
>>>>>>>>esp :: 0xffd8dfa8, ebp :: 0x00000000, eip :: 0x098a8eac

>>>>>>>>Aborting job...
>>>>>>>>__

>>>>>>>>here's a command line:
>>>>>>>>./firefly801 -i cbmim_ccpvtz.inp -o cbmim_ccpvtz.out -p4pg procgrp -f -stdext -b cc-pvtz.lib

>>>>>>>>Did anyone face such thing? I checked this forum and didn't find a hint.

>>>>>>>>UPD: also before "memory damp" in the terminal it printed several lines like
>>>>>>>>TID 2816 caught signal 11.
>>>>>>>>Dump of registers follows
>>>>>>>>TID 2819 caught signal 11.
>>>>>>>>Dump of registers follows
>>>>>>>>TID 2817 caught signal 11.
>>>>>>>>Dump of registers follows
>>>>>>>>TID 2822 caught signal 11.
>>>>>>>>Dump of registers follows
>>>>>>>>eax :: 0xf61f0420,
>>>>>>>>TID 2813 caught signal 11.
>>>>>>>>Dump of registers follows
>>>>>>>>TID 2812 caught signal 11.
>>>>>>>>Dump of registers follows
>>>>>>>>eax :: 0xf61d0420, edx :: 0x00000000
>>>>>>>>TID 2814 caught signal 11.

>>>>>>>>etc