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lxy521cc新虫 (正式写手)
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[求助]
CHARMM跑动力学时出错
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CHARMM跑动力学时总是出现错误ENERGY CHANGE TOLERANCE EXCEEDED，log文件最后是 ***** LEVEL -2 WARNING FROM <DYNAMC> ***** ***** ENERGY CHANGE TOLERANCE EXCEEDED ****************************************** BOMLEV ( -1) IS REACHED - TERMINATING. WRNLEV IS -5 ABNORMAL TERMINATION MAXIMUM STACK SPACE USED IS 254494 STACK CURRENTLY IN USE IS 28144 MOST SEVERE WARNING WAS AT LEVEL -2 $$$$$ JOB ACCOUNTING INFORMATION $$$$$ ELAPSED TIME: 2.34 SECONDS CPU TIME: 2.33 SECONDS CPU TIME: 2.34 SECONDS application called MPI_Abort(MPI_COMM_WORLD, 12) - process 1 application called MPI_Abort(MPI_COMM_WORLD, 12) - process 5 application called MPI_Abort(MPI_COMM_WORLD, 12) - process 6 application called MPI_Abort(MPI_COMM_WORLD, 12) - process 7 application called MPI_Abort(MPI_COMM_WORLD, 12) - process 10 application called MPI_Abort(MPI_COMM_WORLD, 12) - process 13 application called MPI_Abort(MPI_COMM_WORLD, 12) - process 2 application called MPI_Abort(MPI_COMM_WORLD, 12) - process 3 application called MPI_Abort(MPI_COMM_WORLD, 12) - process 4 application called MPI_Abort(MPI_COMM_WORLD, 12) - process 8 application called MPI_Abort(MPI_COMM_WORLD, 12) - process 11 application called MPI_Abort(MPI_COMM_WORLD, 12) - process 14 application called MPI_Abort(MPI_COMM_WORLD, 12) - process 15 请问哪位大神可以帮我解决一下，万分感谢！！！ |
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