diff --git a/src/GPU/gpu_extra.h b/src/GPU/gpu_extra.h index 9d982e3a8c..9299d3b571 100644 --- a/src/GPU/gpu_extra.h +++ b/src/GPU/gpu_extra.h @@ -71,11 +71,12 @@ Self-explanatory. E: Could not find/initialize a specified accelerator device -Could not initialize at least one of the devices specified for the gpu package +Could not initialize at least one of the devices specified for the gpu +package E: Insufficient memory on accelerator -There is insufficient memory on one of the devices specified for the gpu +There is insufficient memory on one of the devices specified for the gpu package E: GPU library not compiled for this accelerator @@ -92,13 +93,14 @@ There was a problem initializing an accelerator for the gpu package E: Accelerator sharing is not currently supported on system -Multiple MPI processes cannot share the accelerator on your system. For NVIDIA -GPUs, see the nvidia-smi command to change this setting. +Multiple MPI processes cannot share the accelerator on your +system. For NVIDIA GPUs, see the nvidia-smi command to change this +setting. E: GPU particle split must be set to 1 for this pair style. -For this pair style, you cannot run part of the force calculation on the host. -See the package command. +For this pair style, you cannot run part of the force calculation on +the host. See the package command. E: Unknown error in GPU library diff --git a/src/KIM/pair_kim.cpp b/src/KIM/pair_kim.cpp index d8d7923a3d..0712484025 100644 --- a/src/KIM/pair_kim.cpp +++ b/src/KIM/pair_kim.cpp @@ -552,13 +552,13 @@ void PairKIM::kim_init() support_atypes = true; strcpy(modelfile,""); strcpy(testfile,""); - char * kim_dir =getenv("KIM_DIR"); - char * kim_models_dir = getenv("KIM_MODELS_DIR"); - char * current_path = getenv("PWD"); + char *kim_dir = getenv("KIM_DIR"); + char *kim_models_dir = getenv("KIM_MODELS_DIR"); + char *current_path = getenv("PWD"); if (kim_dir == NULL) - error->all(FLERR,"KIM_DIR environement variable is unset"); + error->all(FLERR,"KIM_DIR environment variable is unset"); if (current_path == NULL) - error->all(FLERR,"PWD environement variable is unset"); + error->all(FLERR,"PWD environment variable is unset"); if (kim_models_dir == NULL) { strcat(modelfile,kim_dir);strcat(modelfile,"MODELs/"); diff --git a/src/KIM/pair_kim.h b/src/KIM/pair_kim.h index 87834cc702..4c3b41022d 100644 --- a/src/KIM/pair_kim.h +++ b/src/KIM/pair_kim.h @@ -110,3 +110,46 @@ class PairKIM : public Pair { #endif #endif + +/* ERROR/WARNING messages: + +E: Illegal ... command + +Self-explanatory. Check the input script syntax and compare to the +documentation for the command. You can use -echo screen as a +command-line option when running LAMMPS to see the offending line. + +E: Incorrect args for pair coefficients + +Self-explanatory. Check the input script or data file. + +E: Pair style kim requires newton pair off + +This is a current restriction of the KIM library. + +E: All pair coeffs are not set + +All pair coefficients must be set in the data file or by the +pair_coeff command before running a simulation. + +E: KIM neighbor iterator exceeded range + +This should not happen. It likely indicates a bug +in the KIM implementation of the interatomic potential +where it is requesting neighbors incorrectly. + +E: KIM_DIR environment variable is unset + +This environment variable must be set to use pair_style kim. +See the doc page for pair_style kim. + +E: PWD environment variable is unset + +This environment variable must be set to use pair_style kim. +See the doc page for pair_style kim. + +E: KIM initialization failed + +This is an error generated by the KIM library. + +*/