Charm++: standalone mode (not using charmrun) Converse/Charm++ Commit ID: v6.8.2-0-g26d4bd8-namd-charm-6.8.2-build-2018-Jan-11-30463 Warning> Randomization of virtual memory (ASLR) is turned on in the kernel, thread migration may not work! Run 'echo 0 > /proc/sys/kernel/randomize_va_space' as root to disable it, or try running with '+isomalloc_sync'. Warning> net-* deprecated (Charm >= 6.8.0), please use verbs-* Charm++> scheduler running in netpoll mode. Charm++ communication thread will sleep due to single-process run. CharmLB> Load balancer assumes all CPUs are same. Charm++> cpu affinity enabled. Charm++> Running on 1 unique compute nodes (32-way SMP). Charm++> cpu topology info is gathered in 0.001 seconds. Info: Built with CUDA version 9010 Did not find +devices i,j,k,... argument, using all Pe 9 physical rank 9 will use CUDA device of pe 8 Pe 10 physical rank 10 will use CUDA device of pe 8 Pe 1 physical rank 1 will use CUDA device of pe 2 Pe 7 physical rank 7 will use CUDA device of pe 8 Pe 0 physical rank 0 will use CUDA device of pe 2 Pe 11 physical rank 11 will use CUDA device of pe 12 Pe 6 physical rank 6 will use CUDA device of pe 4 Pe 3 physical rank 3 will use CUDA device of pe 2 Pe 13 physical rank 13 will use CUDA device of pe 12 Pe 5 physical rank 5 will use CUDA device of pe 4 Pe 8 physical rank 8 binding to CUDA device 2 on c37.chundoong: 'GeForce GTX 1080' Mem: 8119MB Rev: 6.1 PCI: 0:83:0 Pe 4 physical rank 4 binding to CUDA device 1 on c37.chundoong: 'GeForce GTX 1080' Mem: 8119MB Rev: 6.1 PCI: 0:3:0 Pe 12 physical rank 12 binding to CUDA device 3 on c37.chundoong: 'GeForce GTX 1080' Mem: 8119MB Rev: 6.1 PCI: 0:84:0 Pe 2 physical rank 2 binding to CUDA device 0 on c37.chundoong: 'GeForce GTX 1080' Mem: 8119MB Rev: 6.1 PCI: 0:2:0 Info: NAMD 2.13 for Linux-x86_64-ibverbs-smp-CUDA Info: Info: Please visit http://www.ks.uiuc.edu/Research/namd/ Info: for updates, documentation, and support information. Info: Info: Please cite Phillips et al., J. Comp. Chem. 26:1781-1802 (2005) Info: in all publications reporting results obtained with NAMD. Info: Info: Based on Charm++/Converse 60800 for net-linux-x86_64-ibverbs-smp-iccstatic Info: Built Fri Nov 9 14:45:54 CST 2018 by jim on ganymede.ks.uiuc.edu Info: 1 NAMD 2.13 Linux-x86_64-ibverbs-smp-CUDA 14 c37.chundoong user330 Info: Running on 14 processors, 1 nodes, 1 physical nodes. Info: CPU topology information available. Info: Charm++/Converse parallel runtime startup completed at 2.87042 s CkLoopLib is used in SMP with a simple dynamic scheduling (converse-level notification) but not using node-level queue Info: 1238 MB of memory in use based on /proc/self/stat Info: Configuration file is 1ca2_min.namd Info: Working in the current directory /home/user330 TCL: tried before startup to read config file parameter that was not set FATAL ERROR: tried before startup to read config file parameter that was not set while executing "++++" (file "1ca2_min.namd" line 26) [0] Stack Traceback: [0:0] [0x4fc92c] [0:1] [0x519450] [0:2] __libc_start_main+0xf5 [0x7fb20b62db15] [0:3] [0x4124e9] [0] Stack Traceback: [0:0] [0x4fc92c] [0:1] [0x519450] [0:2] __libc_start_main+0xf5 [0x7fb20b62db15] [0:3] [0x4124e9]