[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.




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