Date: Fri Sep 03 2021 - 14:05:39 CDT
I upgrade to NAMD 2.14 and foind the following problem:
Does v2.14 use only binary files???
Info: NAMD 2.14 for Linux-x86_64-MPI-memoptWarning: Warning: *** EXPERIMENTAL MEMORY OPTIMIZED VERSION ***Warning: 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. Chem. Phys. 153:044130 (2020) doi:10.1063/5.0014475Info: in all publications reporting results obtained with NAMD.Info: Info: Based on Charm++/Converse 61002 for mpi-linux-x86_64-mpicxxInfo: Built Wed Aug 11 15:56:56 -03 2021 by root on headnode.ada.cenapad.unicamp.brInfo: 1 NAMD 2.14 Linux-x86_64-MPI-memopt 128 adagp04 faseixasInfo: Running on 128 processors, 128 nodes, 1 physical nodes.Info: CPU topology information available.Info: Charm++/Converse parallel runtime startup completed at 4.18685 sInfo: 8740.82 MB of memory in use based on /proc/self/statInfo: Configuration file is ./input.confInfo: Changed directory to .TCL: Suspending until startup complete.Warning: The following variables were set in theWarning: configuration file but will be ignored:Warning: fixedAtomsFile (fixedatoms)Warning: fixedAtomsCol (fixedatoms)FATAL ERROR: bincoordinates not found in the configuration file for the memory optimized version![Partition 0][Node 0] End of program
Enviado do Yahoo Mail no Android
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