From 94ddbad8d315e02d81e20a62560f2e67b4bae115 Mon Sep 17 00:00:00 2001 From: hackbard Date: Thu, 25 Sep 2008 14:45:15 +0200 Subject: [PATCH] added pthreads (for io only by now) + refresh screen for i count + longer save file names --- Makefile | 1 + moldyn.c | 91 +++++++++++++++++++++++++++++++++++++++++++++++++++++--- 2 files changed, 88 insertions(+), 4 deletions(-) diff --git a/Makefile b/Makefile index 462a9b7..2a74cb0 100644 --- a/Makefile +++ b/Makefile @@ -7,6 +7,7 @@ CFLAGS += -g #CFLAGS += -ffloat-store #CFLAGS+= -DPARALLEL -fopenmp +CFLAGS+= -DPTHREADS -lpthread CFLAGS += -DALBE CFLAGS += -DALBE_FAST diff --git a/moldyn.c b/moldyn.c index 3ac0a2d..4788a81 100644 --- a/moldyn.c +++ b/moldyn.c @@ -23,6 +23,10 @@ #include #endif +#ifdef PTHREADS +#include +#endif + #include "moldyn.h" #include "report/report.h" @@ -1604,6 +1608,33 @@ int moldyn_set_schedule_hook(t_moldyn *moldyn,set_hook hook,void *hook_params) { * */ +/* helper / special functions */ + +#ifdef PTHREADS +void *write_save_file(void *ptr) { + + int fd; + char dir[128]; + t_moldyn *moldyn; + + moldyn=ptr; + + snprintf(dir,128,"%s/s-%08.f.save",moldyn->vlsdir,moldyn->time); + fd=open(dir,O_WRONLY|O_TRUNC|O_CREAT,S_IRUSR|S_IWUSR); + if(fd<0) perror("[moldyn] save fd open"); + else { + write(fd,moldyn,sizeof(t_moldyn)); + write(fd,moldyn->atom,moldyn->count*sizeof(t_atom)); + } + + close(fd); + + pthread_exit(NULL); + + return 0; +} +#endif + /* start the integration */ int moldyn_integrate(t_moldyn *moldyn) { @@ -1613,13 +1644,26 @@ int moldyn_integrate(t_moldyn *moldyn) { t_3dvec momentum; t_moldyn_schedule *sched; t_atom *atom; +#ifndef PTHREADS int fd; char dir[128]; +#endif double ds; double energy_scale; struct timeval t1,t2; //double tp; +#ifdef PTHREADS + u8 first,change; + pthread_t io_thread; + int ret; + t_moldyn md_copy; + t_atom *atom_copy; + + first=1; + change=0; +#endif + sched=&(moldyn->schedule); atom=moldyn->atom; @@ -1668,6 +1712,16 @@ int moldyn_integrate(t_moldyn *moldyn) { /* debugging, ignore */ moldyn->debug=0; + /* zero & init moldyn copy */ +#ifdef PTHREADS + memset(&md_copy,0,sizeof(t_moldyn)); + atom_copy=malloc(moldyn->count*sizeof(t_atom)); + if(atom_copy==NULL) { + perror("[moldyn] malloc atom copy (init)"); + return -1; + } +#endif + /* tell the world */ printf("[moldyn] integration start, go get a coffee ...\n"); @@ -1752,7 +1806,35 @@ int moldyn_integrate(t_moldyn *moldyn) { } if(s) { if(!(moldyn->total_steps%s)) { - snprintf(dir,128,"%s/s-%07.f.save", +#ifdef PTHREADS + /* check whether thread has not terminated yet */ + if(!first) { + ret=pthread_join(io_thread,NULL); + } + first=0; + /* prepare and start thread */ + if(moldyn->count!=md_copy.count) { + free(atom_copy); + change=1; + } + memcpy(&md_copy,moldyn,sizeof(t_moldyn)); + if(change) { + atom_copy=malloc(moldyn->count*sizeof(t_atom)); + if(atom_copy==NULL) { + perror("[moldyn] malloc atom copy (change)"); + return -1; + } + } + md_copy.atom=atom_copy; + memcpy(atom_copy,moldyn->atom,moldyn->count*sizeof(t_atom)); + change=0; + ret=pthread_create(&io_thread,NULL,write_save_file,&md_copy); + if(ret) { + perror("[moldyn] create save file thread\n"); + return -1; + } +#else + snprintf(dir,128,"%s/s-%08.f.save", moldyn->vlsdir,moldyn->time); fd=open(dir,O_WRONLY|O_TRUNC|O_CREAT, S_IRUSR|S_IWUSR); @@ -1763,6 +1845,7 @@ int moldyn_integrate(t_moldyn *moldyn) { moldyn->count*sizeof(t_atom)); } close(fd); +#endif } } if(a) { @@ -1772,7 +1855,7 @@ int moldyn_integrate(t_moldyn *moldyn) { } /* display progress */ - if(!(moldyn->total_steps%10)) { + if(!(i%10)) { /* get current time */ gettimeofday(&t2,NULL); @@ -2937,7 +3020,7 @@ int visual_atoms(t_moldyn *moldyn) { help=(dim.x+dim.y); - sprintf(file,"%s/atomic_conf_%07.f.xyz",v->fb,moldyn->time); + sprintf(file,"%s/atomic_conf_%08.f.xyz",v->fb,moldyn->time); vb.fd=open(file,O_WRONLY|O_CREAT|O_TRUNC,S_IRUSR|S_IWUSR); if(vb.fd<0) { perror("open visual save file fd"); @@ -2947,7 +3030,7 @@ int visual_atoms(t_moldyn *moldyn) { /* write the actual data file */ // povray header - dprintf(vb.fd,"# [P] %d %07.f <%f,%f,%f>\n", + dprintf(vb.fd,"# [P] %d %08.f <%f,%f,%f>\n", moldyn->count,moldyn->time,help/40.0,help/40.0,-0.8*help); // atomic configuration -- 2.39.2