Hardware reporting now covers all nodes

[alexxy/gromacs.git] / src / programs / mdrun / runner.cpp

diff --git a/src/programs/mdrun/runner.cpp b/src/programs/mdrun/runner.cpp
index 8956d4442bedc77b0a0e49e6181e0be132a26fef..3f520dd22e68fa107f47df0c308e1295a6cd22f0 100644 (file)
--- a/src/programs/mdrun/runner.cpp
+++ b/src/programs/mdrun/runner.cpp
@@ -53,6 +53,7 @@
 #include "gromacs/gmxlib/gpu_utils/gpu_utils.h"
 #include "gromacs/legacyheaders/checkpoint.h"
 #include "gromacs/legacyheaders/constr.h"
+#include "gromacs/legacyheaders/copyrite.h"
 #include "gromacs/legacyheaders/disre.h"
 #include "gromacs/legacyheaders/force.h"
 #include "gromacs/legacyheaders/gmx_detect_hardware.h"
@@ -1020,6 +1021,16 @@ int mdrunner(gmx_hw_opt_t *hw_opt,
      * global for this process (MPI rank). */
     hwinfo = gmx_detect_hardware(fplog, cr, bTryUseGPU);
 
+    gmx_print_detected_hardware(fplog, cr, hwinfo);
+
+    if (fplog != NULL)
+    {
+        /* Print references after all software/hardware printing */
+        please_cite(fplog, "Hess2008b");
+        please_cite(fplog, "Spoel2005a");
+        please_cite(fplog, "Lindahl2001a");
+        please_cite(fplog, "Berendsen95a");
+    }
 
     snew(state, 1);
     if (SIMMASTER(cr))
@@ -1181,6 +1192,7 @@ int mdrunner(gmx_hw_opt_t *hw_opt,
     if (fplog != NULL)
     {
         pr_inputrec(fplog, 0, "Input Parameters", inputrec, FALSE);
+        fprintf(fplog, "\n");
     }
 
     /* now make sure the state is initialized and propagated */