| version 1.1249 | version 1.1250 |
|---|
| |
| NAMD_die("ldbPeriod must greater than firstLdbStep."); | NAMD_die("ldbPeriod must greater than firstLdbStep."); |
| } | } |
| | |
| | #ifdef MEM_OPT_VERSION |
| | //Some constraints on the values of load balancing parameters. |
| | //The reason is related to communication schemes used in sending proxy |
| | //data. If the step immediately after the load balancing is not a step |
| | //for atom migration, then it's possible there are some necessary information |
| | // missing inside the ProxyPatch which will crash the program. Therefore, |
| | // It's better that the step immediately after the load balancing be a step |
| | // for atom migration so that the some overhead in Proxy msgs are removed. |
| | // --Chao Mei |
| | if(ldbPeriod%stepsPerCycle!=0 || firstLdbStep%stepsPerCycle!=0) { |
| | iout << iWARN << "In memory optimized version, the ldbPeriod parameter or firstLdbStep parameter is better set to be a multiple of stepsPerCycle parameter!\n"; |
| | } |
| | #endif |
| | |
| if (N < firstTimestep) { N = firstTimestep; } | if (N < firstTimestep) { N = firstTimestep; } |
| | |
| if ( (firstTimestep%stepsPerCycle) != 0) | if ( (firstTimestep%stepsPerCycle) != 0) |