DL_POLY下并行计算出错问题解决

安装完DL_POLY后,使用并行计算mpirun -np 8 ./DLPOLY.Z出现以下错误时

application called MPI_Abort(comm=0x84000000, 2) - process 2

application called MPI_Abort(comm=0x84000000, 3) - process 3

application called MPI_Abort(comm=0x84000000, 7) - process 7

application called MPI_Abort(comm=0x84000000, 0) - process 0

application called MPI_Abort(comm=0x84000000, 1) - process 1

application called MPI_Abort(comm=0x84000000, 4) - process 4


解决方案:
将CONTROL中的cutoff参数小数点后至多保留至后5位,注意:最多只能到第五位,否则无法进行并行计算



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