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Merge pull request #342 from epfl-cosmo/ipi-multiinit-bug 

Bugfix in the fix_ipi initialization - prevents multiple open_socket calls
This commit is contained in:
sjplimp 2017-01-17 09:14:03 -07:00 committed by GitHub
parent cd7bdf9251 f3a82f454e
commit 83408b195f
2 changed files with 9 additions and 3 deletions
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10
src/USER-MISC/fix_ipi.cpp
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@ -219,6 +219,9 @@ FixIPI::FixIPI(LAMMPS *lmp, int narg, char **arg) :
// create instance of Irregular class
irregular = new Irregular(lmp);
// yet, we have not assigned a socket
socketflag = 0;
}
/* ---------------------------------------------------------------------- */
@ -248,9 +251,12 @@ int FixIPI::setmask()
void FixIPI::init()
{
//only opens socket on master process
if (master) open_socket(ipisock, inet, port, host, error);
else ipisock=0;
if (master) {
if (!socketflag) open_socket(ipisock, inet, port, host, error);
} else ipisock=0;
//! should check for success in socket opening -- but the current open_socket routine dies brutally if unsuccessful
// tell lammps we have assigned a socket
socketflag = 1;
// asks for evaluation of PE at first step
modify->compute[modify->find_compute("thermo_pe")]->invoked_scalar = -1;

2
src/USER-MISC/fix_ipi.h
View File

@ -35,7 +35,7 @@ class FixIPI : public Fix {
protected:
char *host; int port; int inet, master, hasdata;
int ipisock, me; double *buffer; long bsize;
int ipisock, me, socketflag; double *buffer; long bsize;
int kspace_flag;
int reset_flag;