我的笔记本电脑的内核是4,逻辑处理器是8。
目前Multiwfn的settings.ini文件里的参数是
//Below are the parameters about system environment and running control
nthreads= 4 // How many threads are used in parallel mode, if equals 1, parallel mode will be disabled; [1,inf) integer; 4
ompstacksize= 200000000 // For parallel implementation in windows version, this variable sets stacksize for each thread, unit is in Byte. If available memory is insufficient, this value should be decreased. If your task size is huge and crashes during calculation, try to increase ompstacksize. ompstacksize does not affect Linux or Mac OS version, for which you should modify KMP_STACKSIZE environment variable instead; [0,inf) integer; 200000000
我还需要进行修改么?