compilation of large cluster_wham with -mcmodel=medium -shared-intel

diff --git a/source/cluster/wham/src/CMakeLists.txt b/source/cluster/wham/src/CMakeLists.txt
index 3c14090..a6f643b 100644 (file)
--- a/source/cluster/wham/src/CMakeLists.txt
+++ b/source/cluster/wham/src/CMakeLists.txt
@@ -64,7 +64,7 @@ set(UNRES_CLUSTER_WHAM_PP_SRC
 # Set comipiler flags for different sourcefiles  
 #================================================
 if (Fortran_COMPILER_NAME STREQUAL "ifort")
-  set(FFLAGS0 "-ip -w -I. -I${CMAKE_CURRENT_SOURCE_DIR}/include_unres " ) 
+  set(FFLAGS0 "-mcmodel=medium -shared-intel -ip -w -I. -I${CMAKE_CURRENT_SOURCE_DIR}/include_unres " ) 
 elseif (Fortran_COMPILER_NAME STREQUAL "gfortran")
   set(FFLAGS0 "-std=legacy -I. -I${CMAKE_CURRENT_SOURCE_DIR}/include_unres " ) 
 else ()

diff --git a/source/cluster/wham/src/DIMENSIONS b/source/cluster/wham/src/DIMENSIONS
index 03af0c6..d9f0c81 100644 (file)
--- a/source/cluster/wham/src/DIMENSIONS
+++ b/source/cluster/wham/src/DIMENSIONS
@@ -9,7 +9,7 @@ C Max. number of processors.
       parameter (maxprocs=16)
 C Max. number of AA residues
       integer maxres,maxres2
-      parameter (maxres=350)
+      parameter (maxres=600)
 C Appr. max. number of interaction sites
       parameter (maxres2=2*maxres)
 C Max. number of variables

diff --git a/source/cluster/wham/src/Makefile-MPICH-ifort b/source/cluster/wham/src/Makefile-MPICH-ifort
index e4bd846..5d8afe6 100644 (file)
--- a/source/cluster/wham/src/Makefile-MPICH-ifort
+++ b/source/cluster/wham/src/Makefile-MPICH-ifort
@@ -2,7 +2,7 @@
 INSTALL_DIR = /users/local/mpich2-1.4.1p1_intel
 BIN=../../../../bin/cluster
 FC = ifort
-OPT = -O3 -ip -w
+OPT = -O3 -ip -w -mcmodel=medium -shared-intel
 #OPT = -CB -g 
 FFLAGS =  ${OPT} -c -I. -Iinclude_unres -I$(INSTALL_DIR)/include
 CPPFLAGS = -DLINUX -DPGI -DSPLITELE -DPROCOR -DMP -DMPI -DCLUST