From: Dmitry Osolodkin (dmitry_o_at_qsar.chem.msu.ru)
Date: Thu Oct 25 2012 - 09:02:22 CDT
Dear list members,
I'm trying to compile NAMD on a cluster with Intel compilers, and I get
the following error:
Adding file obj/pdbplugin.o...
Adding file obj/psfplugin.o...
charmc> ----------- Module dependency search ------------
charmc> ----------- Module dependency search complete ------------
Adding registration for module NeighborLB
Adding registration for module HybridLB
Adding registration for module RefineLB
Adding registration for module GreedyLB
charmc: Executing mpicxx -m64 -fPIC -DCMK_GFORTRAN -D__CHARMC__=1
-DCMK_OPTIMIZE=1 -Iinc -Isrc -i-static -O2 -ip -fno-rtti -no-vec
-fno-stack-protector -c moduleinit5870.C -o moduleinit5870.o
g++: unrecognized option '-no-vec'
cc1plus: error: unrecognized command line option "-i-static"
cc1plus: error: unrecognized command line option "-ip"
Fatal Error by charmc in directory /home/dosolodkin/namd/Linux-x86_64-icc
Command mpicxx -m64 -fPIC -DCMK_GFORTRAN -D__CHARMC__=1
-DCMK_OPTIMIZE=1 -Iinc -Isrc -i-static -O2 -ip -fno-rtti -no-vec
-fno-stack-protector -c moduleinit5870.C -o moduleinit5870.o returned
error code 1
charmc exiting...
rm -f moduleinit5870.C moduleinit5870.o
make: *** [namd2] Error 1
It seems that mpicxx available is GNU:
dosolodkin_at_somewhere:~/namd/Linux-x86_64-icc$ mpicxx --version
g++ (GCC) 4.4.6 20110731 (Red Hat 4.4.6-3)
Copyright (C) 2010 Free Software Foundation, Inc.
I have mpiicpc available:
dosolodkin_at_somewhere:~/namd/Linux-x86_64-icc$ mpiicpc --version
icpc (ICC) 12.1.0 20110811
Copyright (C) 1985-2011 Intel Corporation. All rights reserved.
It seems that I need to change somewhere in the Makefiles mpicxx to
mpiicpc, but I have no idea where should I do it. Also, on my laptop
mpicxx --version gives icpc and NAMD compiles smoothly.
Could you please help me?
Thank you all in advance,
Dmitry
-- Dmitry Osolodkin, PhD Research associate Group of Computational Molecular Design Department of Chemistry Moscow State University Moscow 119991 Russia e-mail: dmitry_o_at_qsar.chem.msu.ru Phone: +7-495-9393557 Fax: +7-495-9390290
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