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available descriptions see NAMD ver 2.12 issues error: No processors available for load balancing! With increase of number of allocated cores (>~200) you can see following error in NAMD's output file : ------------- Processor 0 Exiting: Called CmiAbort ------------ Reason: FATAL ERROR: No processors available for load balancing! [0] Stack Traceback: [0:0] CmiAbort+0x39 [0xd63499] [0:1] _Z8NAMD_diePKc+0x5b [0x61e59b] [0:2] _ZN10NamdCentLB8StrategyEPN6BaseLB7LDStatsE+0x6aa [0xb07eda] [0:3] _ZN9CentralLB11LoadBalanceEv+0x1d8 [0xd302c8] [0:4] _Z15_processHandlerPvP11CkCoreState+0x860 [0xc9ff50] [0:5] CsdScheduleForever+0x68 [0xd685b8] [0:6] CsdScheduler+0x2d [0xd6893d] [0:7] _ZN9ScriptTcl7Tcl_runEPvP10Tcl_InterpiPPc+0x20f [0xba549f] [0:8] TclInvokeStringCommand+0x88 [0xda6668] [0:9] [0xda9287] [0:10] [0xdaa6a2] [0:11] Tcl_EvalEx+0x16 [0xdaaec6] [0:12] Tcl_FSEvalFileEx+0x151 [0xe0d071] [0:13] Tcl_EvalFile+0x2e [0xe0d22e] [0:14] _ZN9ScriptTcl4loadEPc+0x12 [0xba62f2] [0:15] _Z18after_backend_initiPPc+0x223 [0x62ffc3] [0:16] main+0x3b [0x5b4dcb] [0:17] __libc_start_main+0xf0 [0x7fc338920830] [0:18] _start+0x29 [0x5b8309] Fatal error on PE 0> FATAL ERROR: No processors available for load balancing! This error message maybe caused by ussage of ldbUnloadPME=yes in MAND's computation configuration file, so try to disable it.