[gmx-developers] Branches w/working OpenCL support
Mirco Wahab
mirco.wahab at chemie.tu-freiberg.de
Fri Jun 19 11:10:13 CEST 2015
> Probably not. From the last version (refs/changes/14/4314/26),
> it appears mdrun would try to detect CPU capabilities at this point:
I did a debug run w/VS2013. The segfault is in
ocl_pfree(void * h_ptr) called in nbnxn_atomdata_init():
stack trace:
> msvcr120d.dll!_free_dbg_nolock(void * pUserData, int nBlockUse)
Line 1303 C++
msvcr120d.dll!_free_dbg(void * pUserData, int nBlockUse) Line 1265 C++
msvcr120d.dll!free(void * pUserData) Line 50 C++
gmx.exe!ocl_pfree(void * h_ptr) Line 203 C++
gmx.exe!nbnxn_atomdata_init(_iobuf * fp, nbnxn_atomdata_t * nbat, int
nb_kernel_type, int enbnxninitcombrule, int ntype, const float * nbfp,
int n_energygroups, int nout, void (void * *, unsigned __int64) * alloc,
void (void *) * free) Line 701 C
gmx.exe!init_nb_verlet(_iobuf * fp, nonbonded_verlet_t * * nb_verlet,
int bFEP_NonBonded, const t_inputrec * ir, const t_forcerec * fr, const
t_commrec * cr, const char * nbpu_opt) Line 2288 C++
gmx.exe!init_forcerec(_iobuf * fp, output_env * const oenv,
t_forcerec * fr, t_fcdata * fcd, const t_inputrec * ir, const gmx_mtop_t
* mtop, const t_commrec * cr, float[3] * box, const char * tabfn, const
char * tabafn, const char * tabpfn, const char * tabbfn, const char *
nbpu_opt, int bNoSolvOpt, float print_force) Line 3238 C++
gmx.exe!mdrunner(gmx_hw_opt_t * hw_opt, _iobuf * fplog, t_commrec *
cr, int nfile, const t_filenm * fnm, output_env * const oenv, int
bVerbose, int bCompact, int nstglobalcomm, int * ddxyz, int
dd_node_order, float rdd, float rconstr, const char * dddlb_opt, float
dlb_scale, const char * ddcsx, const char * ddcsy, const char * ddcsz,
const char * nbpu_opt, int nstlist_cmdline, __int64 nsteps_cmdline, int
nstepout, int resetstep, int nmultisim, int repl_ex_nst, int
repl_ex_nex, int repl_ex_seed, float pforce, float cpt_period, float
max_hours, int imdport, unsigned long Flags) Line 1130 C++
gmx.exe!gmx_mdrun(int argc, char * * argv) Line 542 C++
gmx.exe!`anonymous namespace'::NoNiceModule::run(int argc, char * *
argv) Line 157 C++
gmx.exe!gmx::CommandLineModuleManager::run(int argc, char * * argv)
Line 554 C++
gmx.exe!main(int argc, char * * argv) Line 60 C++
[External Code]
Regards
M.
More information about the gromacs.org_gmx-developers
mailing list