Merge pull request #3433 from rohskopf/multi-element-pytorch

Update ML-IAP multi-element PyTorch models
2022-09-06 21:53:20 -04:00
parent 275b7d600f e563eb41c1
commit 157acbacba
2 changed files with 9 additions and 4 deletions
--- a/src/ML-IAP/mliap_model_python.cpp
+++ b/src/ML-IAP/mliap_model_python.cpp
@ -26,6 +26,7 @@
 #include "pair_mliap.h"
 #include "python_compat.h"
 #include "utils.h"
+#include "comm.h"

 #include <Python.h>

@ -104,7 +105,7 @@ void MLIAPModelPython::read_coeffs(char *fname)
  if (loaded) {
    this->connect_param_counts();
  } else {
-    utils::logmesg(lmp, "Loading python model deferred.\n");
+    if (comm->me == 0) utils::logmesg(lmp, "Loading python model deferred.\n");
  }
 }