From: Cezary Czaplewski Date: Thu, 28 Jan 2016 21:51:10 +0000 (+0100) Subject: compilation of large cluster_wham with -mcmodel=medium -shared-intel X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=commitdiff_plain;ds=inline;h=7db72f999ca672c4842ba79318a6df16fdfaca19;hp=2908be16f142d961f5735c3618189257ffca050e;p=unres.git 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 --- 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 --- 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 --- 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