diff --git a/lib/gpu/lal_amoeba.cpp b/lib/gpu/lal_amoeba.cpp index 6f1e0cfaa9..5030025981 100644 --- a/lib/gpu/lal_amoeba.cpp +++ b/lib/gpu/lal_amoeba.cpp @@ -137,7 +137,8 @@ int AmoebaT::udirect2b(const int eflag, const int vflag) { // Compute the block size and grid size to keep all cores busy const int BX=this->block_size(); - int GX=static_cast(ceil(static_cast(this->ans->inum())/(BX/this->_threads_per_atom))); + int GX=static_cast(ceil(static_cast(this->ans->inum())/ + (BX/this->_threads_per_atom))); // Build the short neighbor list if not done yet if (!this->short_nbor_avail) { diff --git a/src/AMOEBA/amoeba_induce.cpp b/src/AMOEBA/amoeba_induce.cpp index 2294f543dd..5b855abdd0 100644 --- a/src/AMOEBA/amoeba_induce.cpp +++ b/src/AMOEBA/amoeba_induce.cpp @@ -279,9 +279,7 @@ void PairAmoeba::induce() crstyle = FIELD; comm->reverse_comm_pair(this); - for (int i = 0; i < 10; i++) { - printf("i = %d; fieldp = %f %f %f\n", i, fieldp[i][0], fieldp[i][1], fieldp[i][2]); - } + //error->all(FLERR,"STOP CPU"); /* if (comm->me == 0) {