diff --git a/PuReMD/src/control.c b/PuReMD/src/control.c index ae9bcee87fec2e6b09e8ef834bc4ed3eb5f01bd1..ff4c6c142f0ac1c3bc8a341624b0c1ac9ad0759b 100644 --- a/PuReMD/src/control.c +++ b/PuReMD/src/control.c @@ -174,6 +174,11 @@ char Read_Control_File( char *control_file, control_params* control, control->nprocs = control->procs_by_dim[0] * control->procs_by_dim[1] * control->procs_by_dim[2]; } + else if ( strncmp(tmp[0], "periodic_boundaries", MAX_LINE) == 0 ) + { + // skip since not supported in distributed memory code + ; + } //else if( strcmp(tmp[0], "restart") == 0 ) { // ival = atoi(tmp[1]); // control->restart = ival; @@ -449,6 +454,11 @@ char Read_Control_File( char *control_file, control_params* control, ival = atoi(tmp[1]); out_control->traj_compress = ival; } + else if ( strncmp(tmp[0], "traj_format", MAX_LINE) == 0 ) + { + // skip since not applicable to distributed memory code + ; + } else if ( strcmp(tmp[0], "traj_method") == 0 ) { ival = atoi(tmp[1]); @@ -483,11 +493,22 @@ char Read_Control_File( char *control_file, control_params* control, ival = atoi(tmp[1]); out_control->angle_info = ival; } - else if ( strcmp(tmp[0], "molecular_analysis") == 0 ) + else if ( strncmp(tmp[0], "test_forces", MAX_LINE) == 0 ) + { + // skip since not supported in distributed memory code + ; + } + else if ( strcmp(tmp[0], "molecular_analysis") == 0 + || strncmp(tmp[0], "molec_anal", MAX_LINE) == 0 ) { ival = atoi(tmp[1]); control->molecular_analysis = ival; } + else if ( strncmp(tmp[0], "freq_molec_anal", MAX_LINE) == 0 ) + { + // skip since not supported in distributed memory code + ; + } else if ( strcmp(tmp[0], "ignore") == 0 ) { control->num_ignored = atoi(tmp[1]);