grab MPI_Comm_Rank and MPI_Comm_Size

before GA is initialized

addresses https://github.com/nwchemgit/nwchem/issues/1196

src/nwchem.F

@@ -94,7 +94,8 @@ c     Create parallel processes and initialize IPC layer
 c
       call pbeginf()
 
-#ifdef PEIGS
+C     #ifdef PEIGS
+#if 1
 c
 c     MXINIT is needed by PeIGS and PFFT to initialize
 c     the communication fabric they use.

src/peigs_comm/mxsubs.F

@@ -193,7 +193,9 @@ c
 	external  mynodes, numnodes
 #endif
 #ifdef TCGMSG
- 	external nodeid, nnodes
+        integer util_mpicommsize,util_mpicommrank
+        external util_mpicommsize,util_mpicommrank
+cold 	external nodeid, nnodes
 #endif
 #ifdef UNIPROC
       ienv(1) = 0
@@ -218,8 +220,10 @@ c
       ENDIF
 #endif
 #ifdef TCGMSG
-      ienv(1) = nodeid()
-      ienv(2) = nnodes()
+cold      ienv(1) = nodeid()
+cold      ienv(2) = nnodes()
+      ienv(1)=util_mpicommrank()
+      ienv(2)=util_mpicommsize()
 #endif
 #ifdef iPSC_NATIVE
       ienv(1) = mynode ()

src/util/GNUmakefile

@@ -194,6 +194,8 @@ endif
 	      banner.o util_print.o util_module_avail.o \
               util_version.o util_nwchem_version.o util_ga_version.o \
               util_nwchem_paper.o util_nwchem_srcdir.o utilc_nwchem_srcdir.o \
+              utilc_mpic2f.o \
+              util_mpic2f.o \
               mk_fit_xf.o \
               int_2c_ga.o \
               ma_solve.o \

src/util/util_mpic2f.F

@@ -0,0 +1,42 @@
+C> \brief The Fortran interface routine to get the NWCHEM source
+C> directory
+C>
+C> In order to compile the source code location into the code we have
+C> to choose between two evils: 
+C> - Either we struggle with the random Fortran line length limits
+C>   (because they were such a disaster in Fortran77 compiler developers
+C>   have kindly carried these over into Fortran90 and further :-(.
+C> - Or we have to generate the code is C and use to ISO_C_BINDING
+C>   module to integrate this into Fortran.
+C> Either approach is a bit of a mess, so we encapsulate all the messing
+C> around in this routine. This routine then provides a straightforward
+C> interface that can simply be called from the Fortran code without
+C> having to pull any stunts.
+C>
+      integer function util_mpicommrank()
+      USE ISO_C_BINDING
+      implicit none
+      interface
+        subroutine utilc_mpicommrank(rank) bind(C)
+          use, intrinsic                  :: ISO_C_BINDING
+          integer (C_INT)                 :: rank
+        end subroutine
+      end interface
+      integer (C_INT) :: rank
+      call utilc_mpicommrank(rank)
+      util_mpicommrank=rank
+      end
+      integer function util_mpicommsize()
+      USE ISO_C_BINDING
+      implicit none
+      interface
+        subroutine utilc_mpicommsize(size) bind(C)
+          use, intrinsic                  :: ISO_C_BINDING
+          integer (C_INT)                 :: size
+        end subroutine
+      end interface
+      integer (C_INT) :: size
+      call utilc_mpicommsize(size)
+      util_mpicommsize=size
+      end
+c $Id$

src/util/utilc_mpic2f.c

@@ -0,0 +1,23 @@
+#include <mpi.h>
+#ifdef XLFLINUX
+void utilc_mpicommrank_(
+#else
+void utilc_mpicommrank(
+#endif
+		       int *me)
+{
+  int myid;
+  MPI_Comm_rank(MPI_COMM_WORLD,&myid);
+  *me= myid;
+}
+#ifdef XLFLINUX
+void utilc_mpicommsize_(
+#else
+void utilc_mpicommsize(
+#endif
+		       int *size)
+{
+  int mysize;
+  MPI_Comm_size(MPI_COMM_WORLD,&mysize);
+  *size= mysize;
+}