Thank you Christoph, now I was able to add and compile my program in VOTCA. I have another question, when I use any coarse graining method in VOTCA, it only utilizes the existing number of threads of a core. If I am correct I cannot use multiple cores (like mpi) to run any VOTCA csg programs. I was wondering if there is any way to do that or it needs to be implemented in VOTCA?
On Wednesday, November 2, 2016 at 6:40:32 PM UTC-5, Christoph Junghans wrote: > > 2016-11-02 17:12 GMT-06:00 Mohammad Motevaselian <[email protected] > <javascript:>>: > > Hi, > > > > So far I have worked with VOTCA to do coarse graining and went through > the > > structure of the codes and scripts (specifically csg_reupdate.cc and > > csg_fmatch.cc). > > I want now to implement a new C function in VOTCA. Could you please tell > me, > > where should I specify the name of my new function, such that cmake > > understand > > that it exists and compile it. > All file named <PROGNAME>*.cc get compile into <PROGNAME>, e.g. > csg_stat.cc csg_stat_imc.cc csg_stat_imc.h get compile into csg_stat. > After adding the file to csg/src/tools you need to re-run cmake. > > If you need a function in two csg programs, you need to add the file > to libcsg (dir csg/src/libcsg) and rerun cmake. > > Christoph > > > > thanks > > Mohammad > > > > -- > > You received this message because you are subscribed to the Google > Groups > > "votca" group. > > To unsubscribe from this group and stop receiving emails from it, send > an > > email to [email protected] <javascript:>. > > To post to this group, send email to [email protected] > <javascript:>. > > Visit this group at https://groups.google.com/group/votca. > > For more options, visit https://groups.google.com/d/optout. > > > > -- > Christoph Junghans > Web: http://www.compphys.de > -- You received this message because you are subscribed to the Google Groups "votca" group. To unsubscribe from this group and stop receiving emails from it, send an email to [email protected]. To post to this group, send email to [email protected]. Visit this group at https://groups.google.com/group/votca. For more options, visit https://groups.google.com/d/optout.
