From da183c36837a793520aba23f721af868dfacd786 Mon Sep 17 00:00:00 2001 From: Szilard Pall Date: Thu, 2 Feb 2012 21:36:36 +0100 Subject: [PATCH] fixed confusing nonbonded kernel pointer initialization Change-Id: I590c7c08d77491f05c798ccc4abf4de988b950f5 --- src/gmxlib/nonbonded/nonbonded.c | 10 ++++------ 1 file changed, 4 insertions(+), 6 deletions(-) diff --git a/src/gmxlib/nonbonded/nonbonded.c b/src/gmxlib/nonbonded/nonbonded.c index aa5d172680..d6de9b0058 100644 --- a/src/gmxlib/nonbonded/nonbonded.c +++ b/src/gmxlib/nonbonded/nonbonded.c @@ -330,9 +330,7 @@ void do_nonbonded(t_commrec *cr,t_forcerec *fr, real * fshift; int n,n0,n1,i,i0,i1,nrnb_ind,sz; t_nblists *nblists; - gmx_bool bWater; - nb_kernel_t * kernelptr; - nb_adress_kernel_t * adresskernelptr; + gmx_bool bWater; FILE * fp; int fac=0; int nthreads = 1; @@ -340,6 +338,9 @@ void do_nonbonded(t_commrec *cr,t_forcerec *fr, int outeriter,inneriter; real * tabledata = NULL; gmx_gbdata_t gbdata; + + nb_kernel_t *kernelptr=NULL; + nb_adress_kernel_t *adresskernelptr=NULL; gmx_bool bCG; /* for AdresS */ int k;/* for AdresS */ @@ -349,7 +350,6 @@ void do_nonbonded(t_commrec *cr,t_forcerec *fr, bForeignLambda = (flags & GMX_DONB_FOREIGNLAMBDA); bCG = FALSE; /* for AdresS */ - adresskernelptr = NULL; gbdata.gb_epsilon_solvent = fr->gb_epsilon_solvent; gbdata.epsilon_r = fr->epsilon_r; @@ -616,8 +616,6 @@ void do_nonbonded(t_commrec *cr,t_forcerec *fr, skipped*/ if (mdatoms->pureex && bCG && nb_kernel_list[nrnb_ind] != NULL) continue; if (mdatoms->purecg && !bCG && nb_kernel_list[nrnb_ind] != NULL) continue; - kernelptr = NULL; - adresskernelptr = NULL; } if (fr->adress_type == eAdressOff || -- 2.22.0