[gmx-users] compiling problem

Mu Yuguang (Dr) YGMu at ntu.edu.sg
Wed Sep 16 11:35:57 CEST 2009

No, even I do not use mpi , the error is still there.


From: gmx-users-bounces at gromacs.org [mailto:gmx-users-bounces at gromacs.org] On Behalf Of Yang Ye
Sent: Wednesday, September 16, 2009 2:34 PM
To: Discussion list for GROMACS users
Subject: Re: [gmx-users] compiling problem

Is LAM-MPI's binary in PATH? if you run mpicc from console, will it also show "No such file or directory"? Check LAM-MPI installation.

Yang Ye
On Wed, Sep 16, 2009 at 12:39 PM, Mu Yuguang (Dr) <YGMu at ntu.edu.sg<mailto:YGMu at ntu.edu.sg>> wrote:
I use
git clone git://git.gromacs.org/gromacs.git<http://git.gromacs.org/gromacs.git>

to get the lastest version

To generate the configure file
Then use ./configure successfully

Howeve, after make
The error appears as foloowing:

mpicc -DHAVE_CONFIG_H -I. -I. -I../../../../src -I/usr/X11R6/include -I/usr/include/libxml2 -I../../../../include -DGMXLIBDIR=\"/home/ygmu/software/gmx_cvs/gromacs/share/top\" -I/home/ygmu/software/fftw-3.2/float/include -O3 -fomit-frame-pointer -finline-functions -Wall -Wno-unused -msse2 -funroll-all-loops -std=gnu99 -MT nb_kernel400_x86_64_sse.lo -MD -MP -MF .deps/nb_kernel400_x86_64_sse.Tpo -c nb_kernel400_x86_64_sse.c -o nb_kernel400_x86_64_sse.o
nb_kernel400_x86_64_sse.c: In function `nb_kernel400_x86_64_sse':
nb_kernel400_x86_64_sse.c:93: warning: implicit declaration of function `_mm_castsi128_ps'
nb_kernel400_x86_64_sse.c:93: error: invalid initializer
nb_kernel400_x86_64_sse.c:94: error: invalid initializer
nb_kernel400_x86_64_sse.c:95: error: invalid initializer
mpicc: No such file or directory
make[5]: *** [nb_kernel400_x86_64_sse.lo] Error 1


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Yang Ye
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