Now possible to link statically latest ELPA (ELPA 2013.11-v8) compiled for a specific architecture. Both single- and multi-threaded version supported.

git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@11042 c92efa57-630b-4861-b058-cf58834340f0

Modules/dspev_drv.f90

@@ -653,7 +653,7 @@ CONTAINS
      USE mp_bands,  ONLY: nproc_bgrp, me_bgrp, intra_bgrp_comm, root_bgrp
      USE mp_diag,   ONLY: ortho_comm
      USE mp,        ONLY: mp_comm_free
-#ifdef __ELPA
+#if defined(__ELPA)
      USE elpa1
 #endif
      IMPLICIT NONE
@@ -677,7 +677,7 @@ CONTAINS
      INTEGER     :: LWORK, LIWORK, info
      CHARACTER   :: jobv
      INTEGER     :: i
-#ifdef __ELPA
+#if defined(__ELPA)
      INTEGER     :: nprow,npcol,my_prow, my_pcol,mpi_comm_rows, mpi_comm_cols
 #endif 
 
@@ -700,10 +700,11 @@ CONTAINS
      itmp = 0
      rtmp = 0.0_DP
 
-#ifdef __ELPA
+#if defined(__ELPA)
      CALL BLACS_Gridinfo(ortho_cntx,nprow, npcol, my_prow,my_pcol)
-     CALL GET_ELPA_ROW_COL_COMMS(ortho_comm, my_prow, my_pcol,mpi_comm_rows, mpi_comm_cols)
-     CALL SOLVE_EVP_REAL(n,  n,   s, lds,    w,  vv, lds     ,nb  ,mpi_comm_rows, mpi_comm_cols)
+     CALL get_elpa_row_col_comms(ortho_comm, my_prow, my_pcol,mpi_comm_rows, mpi_comm_cols)
+     CALL solve_evp_real(n,  n,   s, lds,    w,  vv, lds     ,nb  ,mpi_comm_rows, mpi_comm_cols)
+     
      IF( tv )  s = vv
      IF( ALLOCATED( vv ) ) DEALLOCATE( vv )
 
@@ -731,24 +732,6 @@ CONTAINS
      DEALLOCATE( iwork )
 #endif 
 
-!#ifdef __ELPA   ! uncomment only if you want to printout eigenv* for debug
-!                ! purposes
-!     ALLOCATE ( work (n) ) 
-!     CALL PDLAPRNT( N, N, s, 1, 1, desch, 0, 0, 's', 99, WORK )
-!     DO i=1,N
-!        WRITE(88,*)i,w(i)
-!     END DO
-!     DEALLOCATE( work )
-!#else
-!     ALLOCATE ( work (n) ) 
-!     write(*,*)n
-!     CALL PDLAPRNT( N, N, s, 1, 1, desch, 0, 0, 's', 100, WORK )
-!     DO i=1,N
-!        WRITE(200,*)i,w(i)
-!     END DO
-!     DEALLOCATE( work )
-!#endif
-
      RETURN
   END SUBROUTINE pdsyevd_drv
 

Modules/zhpev_drv.f90

@@ -1464,7 +1464,7 @@ CONTAINS
      USE kinds,     ONLY : DP
      USE mp_diag,   ONLY : ortho_comm
      USE mp,        ONLY : mp_comm_free
-#ifdef __ELPA
+#if defined(__ELPA)
      USE elpa1
 #endif
      IMPLICIT NONE
@@ -1489,7 +1489,7 @@ CONTAINS
      INTEGER     :: LWORK, LRWORK, LIWORK
      INTEGER     :: desch( 10 ), info
      CHARACTER   :: jobv
-#ifdef __ELPA
+#if defined(__ELPA)
      INTEGER     :: nprow,npcol,my_prow, my_pcol,mpi_comm_rows, mpi_comm_cols
 #endif 
 
@@ -1502,12 +1502,11 @@ CONTAINS
      END IF
 
      call descinit( desch, n, n, nb, nb, 0, 0, ortho_cntx, size(h,1), info )
-#ifdef __ELPA
+     
+#if defined(__ELPA)
      CALL BLACS_Gridinfo( ortho_cntx, nprow, npcol, my_prow, my_pcol )
-
-     call GET_ELPA_ROW_COL_COMMS(ortho_comm, my_prow, my_pcol,mpi_comm_rows,mpi_comm_cols)
-
-     call solve_evp_complex(n, n, h, size(h,1), w, v, size(h,1), nb, &
+     CALL get_elpa_row_col_comms(ortho_comm, my_prow, my_pcol,mpi_comm_rows,mpi_comm_cols)
+     CALL solve_evp_complex(n, n, h, size(h,1), w, v, size(h,1), nb, &
                           mpi_comm_rows, mpi_comm_cols)
      h = v
 

PW/src/pwscf.f90

@@ -30,7 +30,7 @@ PROGRAM pwscf
   CALL run_pwscf  ( exit_status )
   !
   CALL stop_run( exit_status )
-  CALL do_stop( exit_status )
+  !CALL do_stop( exit_status )
   !
   STOP
   !

install/configure.ac

@@ -1975,14 +1975,20 @@ fi
     fi   
 done
 
-# ELPA iff SCALAPACK
+# ELPA iff SCALAPACK (statically linked)
 elpa_libs_switch="disabled"
 if test "$with_elpa" -eq 2 && test "$have_scalapack" -eq 1; then
-    scalapack_libs="-L$with_elpa_path/lib -lelpa $scalapack_libs"
-    # ELPA includes for FORTRAN, works with 2013.08
-    try_iflags="$try_iflags -I$with_elpa_path/include -I$with_elpa_path/include/elpa/modules " 
-    try_dflags="$try_dflags -D__ELPA"
+    if test "$use_openmp" -eq 1 ; then
+        scalapack_libs="$with_elpa_path/lib/libelpa_mt.a $scalapack_libs"
+        try_iflags="$try_iflags -I$with_elpa_path/include/elpa/modules "
+        try_dflags="$try_dflags -D__ELPA"
+    else
+        scalapack_libs="$with_elpa_path/libelpa.a $scalapack_libs"
+        try_iflags="$try_iflags -I$with_elpa_path/include/elpa/modules "
+        try_dflags="$try_dflags -D__ELPA"
+    fi
 fi
+
 if test "$with_elpa" -eq 1 && test "$have_scalapack" -eq 1; then
     scalapack_libs="\$(TOPDIR)/ELPA/libelpa.a $scalapack_libs"
     try_dflags="$try_dflags -D__ELPA"