1 /* -*- c++ -*- ---------------------------------------------------------- 2 LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator 3 https://www.lammps.org/, Sandia National Laboratories 4 Steve Plimpton, sjplimp@sandia.gov 5 6 Copyright (2003) Sandia Corporation. Under the terms of Contract 7 DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains 8 certain rights in this software. This software is distributed under 9 the GNU General Public License. 10 11 See the README file in the top-level LAMMPS directory. 12 ------------------------------------------------------------------------- */ 13 14 #ifdef DUMP_CLASS 15 // clang-format off 16 DumpStyle(custom/adios, DumpCustomADIOS); 17 // clang-format on 18 #else 19 20 #ifndef LMP_DUMP_CUSTOM_ADIOS_H 21 #define LMP_DUMP_CUSTOM_ADIOS_H 22 23 #include "dump_custom.h" 24 25 namespace LAMMPS_NS { 26 27 class DumpCustomADIOSInternal; 28 29 class DumpCustomADIOS : public DumpCustom { 30 public: 31 DumpCustomADIOS(class LAMMPS *, int, char **); 32 virtual ~DumpCustomADIOS(); 33 34 protected: 35 virtual void openfile(); 36 virtual void write(); 37 virtual void init_style(); 38 39 private: 40 DumpCustomADIOSInternal *internal; 41 }; 42 } // namespace LAMMPS_NS 43 44 #endif 45 #endif 46 47 /* ERROR/WARNING messages: 48 49 E: Cannot open dump file %s 50 51 The output file for the dump command cannot be opened. Check that the 52 path and name are correct. 53 54 E: Too much per-proc info for dump 55 56 Number of local atoms times number of columns must fit in a 32-bit 57 integer for dump. 58 59 E: Dump_modify format string is too short 60 61 There are more fields to be dumped in a line of output than your 62 format string specifies. 63 64 E: Could not find dump custom compute ID 65 66 Self-explanatory. 67 68 E: Could not find dump custom fix ID 69 70 Self-explanatory. 71 72 E: Dump custom and fix not computed at compatible times 73 74 The fix must produce per-atom quantities on timesteps that dump custom 75 needs them. 76 77 E: Could not find dump custom variable name 78 79 Self-explanatory. 80 81 E: Region ID for dump custom does not exist 82 83 Self-explanatory. 84 85 */ 86