Solved!!! Some libraries were missing on my AWK.
Thanks a lot!!! :) All the best, Sacha On Jul 27, 12:26 pm, Christoph Junghans <[email protected]> wrote: > Here is a typo in the error mesage! > > Can you run: > awk -v x="1.6629" -v y="1.6629" "BEGIN{print ( (sqrt((x-y)/x)**2) < 1e-2 )}" > > And post the output and the output of > > awk --version > > Cheers, > > Christoph > > 2011/7/27 Sacha Mould <[email protected]>: > > > > > Hi all, > > > i just installed 1.2 release and i'm having troubles running iterative > > processes (either IBI or IMC). After starting the simulation an error > > appears just when first step of iteration starts. For instance, when > > running the propane tutorial i receive this error: > > > ............... > > Comments from /home/lusiterrae/Documents/Sacha/votca-tutorials-1.2/ > > propane/ibi/step_001/A-B.pot.cur:\nCreated on Wed Jul 27 11:28:24 WEST > > 2011 by lusiterrae@ubuntu > > called from prepare_generic_single.sh, version 1.2 hgid: a3069d52ccc7 > > settings file: /home/lusiterrae/Documents/Sacha/votca-tutorials-1.2/ > > propane/ibi/settings.xml > > working directory: /home/lusiterrae/Documents/Sacha/votca- > > tutorials-1.2/propane/ibi/step_000' > > Running critical command 'mktemp A-B.pot.extrapol.XXXXX' > > Running critical command 'mktemp A-B.pot.shift.XXXXX' > > Running critical command 'mktemp A-B.pot.extrapol2.XXXXX' > > Running subscript 'table_extrapolate.pl --function exponential -- > > avgpoints 5 --region left A-B.pot.smooth.VAwyw A- > > B.pot.extrapol2.9rzNZ'(from tags table extrapolate) > > Running subscript 'table_extrapolate.pl --function constant -- > > avgpoints 1 --region right A-B.pot.extrapol2.9rzNZ A- > > B.pot.extrapol.oBhsK'(from tags table extrapolate) > > Running subscript 'dpot_shift_nb.pl A-B.pot.extrapol.oBhsK A- > > B.pot.shift.pctV2'(from tags pot shift_nonbonded) > > Running subscript 'table_to_xvg.pl --max 1000000 --type non-bonded A- > > B.pot.shift.pctV2 table_A_B.xvg'(from tags convert_potential xvg) > > awk: line 1: syntax error at or near * > > ############################################################################################## > > # > > # > > # > > ERROR: > > # > > # csg_calc: awk -v x='1.6629' -v y='1.6629' 'BEGIN{print ((sqrt(x- > > y)**2)/(x))<1e-2)}' failed # > > # > > # > > ############################################################################################## > > For details see /home/lusiterrae/Documents/Sacha/votca-tutorials-1.2/ > > propane/ibi/inverse.log > > die: (called from 477) CSG_MASTER_PID is 32303 > > die: pids to kill: 0 > > > It seems that is something to do with the temperature value that we > > set on settings.xml and grompp files. Even having these values set > > equal in order to respect the condition (((sqrt(x-y)**2)/(x))<1e-2)) > > the error prevails. I still didn't manage to figure out where the > > problem might come from... Bad compilation of csg_inverse??? > > > Thanks in advance!!!! > > > Cheers, > > > Sacha > > > -- > > You received this message because you are subscribed to the Google Groups > > "votca" group. > > To post to this group, send email to [email protected]. > > To unsubscribe from this group, send email to > > [email protected]. > > For more options, visit this group > > athttp://groups.google.com/group/votca?hl=en. > > -- > Dr. Christoph Junghans > Votca Core Developer > > Web:http://www.votca.org -- You received this message because you are subscribed to the Google Groups "votca" group. To post to this group, send email to [email protected]. To unsubscribe from this group, send email to [email protected]. For more options, visit this group at http://groups.google.com/group/votca?hl=en.
