Ok, I got it, this error has already been fixed in the development version:
https://code.google.com/p/votca/source/detail?repo=csgr=fb38b0f8f93f539432e85ce3cb7f8687295eb24b
but not the stable version, I backported it:
With the update it works.
Thanks a lot Christoph !
David
Am Mittwoch, 19. August 2015 17:58:13 UTC+2 schrieb Christoph Junghans:
Ok, I got it, this error has already been fixed in the development
version:
So I'm using VOTCA version 1.2.4 on a cluster where the bash version is
3.2.51.
If I run the command in my shell :
step_nr=1; scheme=( 0 0 1 ); echo $(( ( $step_nr - 1 ) % ${#scheme[@]} ))
I get 0 as an output (as expected)
If I run the propane example I get the same error.
The grep command
Dear VOTCA developers and users,
I have tried to run IMC for a binary mixture
with update cycles. But instead of a cycle, no update is performed.
In the inverse.log file it is written:
/share/votca/scripts/inverse/imc_purify.sh: line 41: scheme: bad array
subscript
Here is the part of the .xml
2015-08-18 4:15 GMT-06:00 David Rosenberger juppe...@googlemail.com:
Dear VOTCA developers and users,
I have tried to run IMC for a binary mixture
with update cycles. But instead of a cycle, no update is performed.
In the inverse.log file it is written:
