Firefly and PC GAMESS-related discussion club

Learn how to ask questions correctly  
We are NATO-free zone

Re^2: Command line not accepting parentheses in basis set library name

Alex Granovsky

Dear Slawomir,

I tested this under Windows 7 as well and did not find any problems.

Could you please confirm this problem?

All the best,

On Thu Dec 19 '13 4:15am, Alex Granovsky wrote
>Dear Slawomir,

>I cannot reproduce this. I tested under Windows Server 2008 R1.

>Try to remove quotes.

>Kind regards,
>On Thu Dec 19 '13 2:14am, Slawomir Janicki wrote
>>Firefly refused to recognize a basis set library with parentheses in the name while similar input file names are accepted. Is this an OS-specific issue?

>>To run Firefly on Win7 I use a batch file with the following syntax:

e:\ff\firefly8 -i "e:\ff1\%1.inp" -o "e:\ff1\%1.log" -t e:\ff2 -b "%2" -r -f -p -stdext -daf 1 -lp -np 6

>>When %2 is cc-pV5hiZ.lib the batch file executes correctly. When %2 is cc-pV(5-hi)Z.lib Firefly can't find the library. However, when %1 is PhNH2-RHF-cc-pV(5-hi)Z the batch runs fine.

>>I checked the fully substituted line and it looks as expected.

>>What are there limitations of the basis set file names?



[ Previous ] [ Next ] [ Index ]           Wed Dec 25 '13 11:13am
[ Reply ] [ Edit ] [ Delete ]           This message read 794 times