From e26610dc1d9f408822f8530f2dca7a04fc36c637 Mon Sep 17 00:00:00 2001 From: Cezary Czaplewski Date: Fri, 2 Feb 2018 21:40:59 +0100 Subject: [PATCH] wham maxsym=10 --- source/wham/src-M/DIMENSIONS | 2 +- source/wham/src-M/Makefile_MPICH_ifort | 6 +++--- 2 files changed, 4 insertions(+), 4 deletions(-) diff --git a/source/wham/src-M/DIMENSIONS b/source/wham/src-M/DIMENSIONS index 2fe913c..12eb195 100644 --- a/source/wham/src-M/DIMENSIONS +++ b/source/wham/src-M/DIMENSIONS @@ -20,7 +20,7 @@ C Appr. max. number of interaction sites parameter (maxres2=2*maxres) C Max number of symetries integer maxsym,maxperm - parameter (maxsym=5,maxperm=120) + parameter (maxsym=10,maxperm=120) C Max. number of variables integer maxvar parameter (maxvar=4*maxres) diff --git a/source/wham/src-M/Makefile_MPICH_ifort b/source/wham/src-M/Makefile_MPICH_ifort index 350b80e..671293e 100644 --- a/source/wham/src-M/Makefile_MPICH_ifort +++ b/source/wham/src-M/Makefile_MPICH_ifort @@ -1,9 +1,9 @@ #INSTALL_DIR = /users/software/mpich-1.2.7p1_intel-10.1_em64_ssh INSTALL_DIR = /users2/local/mpich2-1.4.1p1_intel -BIN = ../../../bin/wham +BIN = ./ FC= ifort -OPT = -mcmodel=medium -O3 -ip -w -#OPT = -mcmodel=medium -g -CB -ip -w +#OPT = -mcmodel=medium -O3 -ip -w +OPT = -mcmodel=medium -g -CB -ip -w FFLAGS = ${OPT} -c -I. -I./include_unres -I$(INSTALL_DIR)/include LIBS = -L$(INSTALL_DIR)/lib -lmpich -lmpl xdrf/libxdrf.a -- 1.7.9.5