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root/group/trunk/OOPSE/libmdtools/Integrator.cpp
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Comparing trunk/OOPSE/libmdtools/Integrator.cpp (file contents):
Revision 843 by mmeineke, Wed Oct 29 20:41:39 2003 UTC vs.
Revision 892 by chuckv, Mon Dec 22 21:27:04 2003 UTC

# Line 7 | Line 7
7   #include <unistd.h>
8   #endif //is_mpi
9  
10 + #ifdef PROFILE
11 + #include "mdProfile.hpp"
12 + #endif // profile
13 +
14   #include "Integrator.hpp"
15   #include "simError.h"
16  
# Line 209 | Line 213 | template<typename T> void Integrator<T>::integrate(voi
213        calcStress = 1;
214      }
215  
216 + #ifdef PROFILE
217 +    startProfile( pro1 );
218 + #endif
219 +    
220      integrateStep(calcPot, calcStress);
221 +
222 + #ifdef PROFILE
223 +    endProfile( pro1 );
224 +
225 +    startProfile( pro2 );
226 + #endif // profile
227  
228      info->incrTime(dt);
229  
# Line 238 | Line 252 | template<typename T> void Integrator<T>::integrate(voi
252          currReset += resetTime;
253        }
254      }
255 +    
256 + #ifdef PROFILE
257 +    endProfile( pro2 );
258 + #endif //profile
259  
260   #ifdef IS_MPI
261      strcpy(checkPointMsg, "successfully took a time step.");
# Line 256 | Line 274 | template<typename T> void Integrator<T>::integrateStep
274   template<typename T> void Integrator<T>::integrateStep(int calcPot,
275                                                         int calcStress){
276    // Position full step, and velocity half step
277 +
278 + #ifdef PROFILE
279 +  startProfile(pro3);
280 + #endif //profile
281 +
282    preMove();
283  
284 <  moveA();
284 > #ifdef PROFILE
285 >  endProfile(pro3);
286  
287 +  startProfile(pro4);
288 + #endif // profile
289  
290 +  moveA();
291  
292 + #ifdef PROFILE
293 +  endProfile(pro4);
294 +  
295 +  startProfile(pro5);
296 + #endif//profile
297  
298 +
299   #ifdef IS_MPI
300    strcpy(checkPointMsg, "Succesful moveA\n");
301    MPIcheckPoint();
# Line 278 | Line 311 | template<typename T> void Integrator<T>::integrateStep
311    MPIcheckPoint();
312   #endif // is_mpi
313  
314 + #ifdef PROFILE
315 +  endProfile( pro5 );
316 +
317 +  startProfile( pro6 );
318 + #endif //profile
319  
320    // finish the velocity  half step
321  
322    moveB();
323  
324 <
324 > #ifdef PROFILE
325 >  endProfile(pro6);
326 > #endif // profile
327  
328   #ifdef IS_MPI
329    strcpy(checkPointMsg, "Succesful moveB\n");

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