moebiusband/MD-Bench
1
0
Fork 0
Code Issues Pull Requests Packages Projects Releases Wiki Activity

Call CPU version of updatePbc within setupPbc

Browse Source 
Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
This commit is contained in:
Rafael Ravedutti 2022-11-14 19:19:57 +01:00
parent 6eedf1776e
commit f293cec960
1 changed files with 1 additions and 1 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

2
gromacs/pbc.c
View File

@ -226,6 +226,6 @@ void setupPbc(Atom *atom, Parameter *param) {
atom->Nclusters = atom->Nclusters_local + Nghost + 1;
// Update created ghost clusters positions
updatePbc(atom, param, 1);
cpuUpdatePbc(atom, param, 1);
DEBUG_MESSAGE("setupPbc end\n");
}