<!DOCTYPE HTML PUBLIC "-//W3C//DTD HTML 4.0 Transitional//EN">
<HTML><HEAD>
<META content=text/html;charset=gb2312 http-equiv=Content-Type>
<META name=GENERATOR content="MSHTML 8.00.6001.18812"></HEAD>
<BODY style="PADDING-LEFT: 10px; PADDING-RIGHT: 10px; PADDING-TOP: 15px"
id=MailContainerBody leftMargin=0 topMargin=0 CanvasTabStop="true"
name="Compose message area">
<DIV><FONT face=Calibri>Hi There,</FONT></DIV>
<DIV><FONT face=Calibri></FONT> </DIV>
<DIV><FONT face=Calibri>I have some problems</FONT><FONT face=Calibri>
installing gromacs on the linux server. </FONT></DIV>
<DIV><FONT face=Calibri></FONT> </DIV>
<DIV><FONT face=Calibri>fftw installed with no error, but when I install
gromacs,</FONT></DIV>
<DIV><FONT face=Calibri>I got the following error:</FONT></DIV>
<DIV><FONT face=Calibri>*****************************************</FONT></DIV>
<DIV><FONT face=Calibri>/bin/sh ../../libtool --tag=CC --mode=link
cc -O3 -fomit-frame-pointer -finline-functions -Wall -Wno-unused
-funroll-all-loops -L/home/y1gao/soft/fftw/lib -o grompp
grompp.o libgmxpreprocess_d.la ../mdlib/l<BR>cc -O3 -fomit-frame-pointer
-finline-functions -Wall -Wno-unused -funroll-all-loops -o .libs/grompp
grompp.o -L/home/y1gao/soft/fftw/lib ./.libs/libgmxpreprocess_d.a
-L/usr/X11R6/lib ../mdlib/.libs/libmd_d.so /n<BR>_d.so -lnsl -lfftw3 -lm -lSM
-lICE -lX11 -Wl,--rpath
-Wl,/home/y1gao/soft/gromacs//lib<BR>../mdlib/.libs/libmd_d.so: undefined
reference to `__libm_sse2_sincos'<BR>../mdlib/.libs/libmd_d.so: undefined
reference to `__libm_sse2_log'<BR>../mdlib/.libs/libmd_d.so: undefined reference
to `_intel_fast_memcpy'<BR>collect2: ld returned 1 exit status<BR>make[3]: ***
[grompp] Error 1<BR>make[3]: Leaving directory
`/nas/y1gao/installation_files/gromacs-4.0.4/gromacs-4.0.4/src/kernel'<BR>make[2]:
*** [all-recursive] Error 1<BR>make[2]: Leaving directory
`/nas/y1gao/installation_files/gromacs-4.0.4/gromacs-4.0.4/src'<BR>make[1]: ***
[all] Error 2<BR>make[1]: Leaving directory
`/nas/y1gao/installation_files/gromacs-4.0.4/gromacs-4.0.4/src'<BR>make: ***
[all-recursive] Error 1<BR></FONT><FONT
face=Calibri>*******************************************</FONT></DIV>
<DIV><FONT face=Calibri></FONT> </DIV>
<DIV><FONT face=Calibri>I used the combinations of the following fftw and
gromacs:</FONT></DIV>
<DIV><FONT face=Calibri>fftw 3.2.1; fftw3.2.2</FONT></DIV>
<DIV><FONT face=Calibri>gromacs 3.3.3; gromacs 4.0.4</FONT></DIV>
<DIV><FONT face=Calibri></FONT> </DIV>
<DIV><FONT face=Calibri>gcc version 3.4.6</FONT></DIV>
<DIV><FONT face=Calibri></FONT> </DIV>
<DIV><FONT face=Calibri>The command I used are:</FONT></DIV>
<DIV><FONT face=Calibri>*************************</FONT></DIV>
<DIV><FONT face=Calibri>To install fftw:</FONT></DIV>
<DIV><FONT face=Calibri> $ ./configure
--enable-threads --enable-sse2 -prefix
/home/y1gao/soft/fftw/lib</FONT></DIV>
<DIV><FONT face=Calibri> $ make</FONT></DIV>
<DIV><FONT face=Calibri>$ make install</FONT></DIV>
<DIV><FONT face=Calibri></FONT> </DIV>
<DIV><FONT face=Calibri>To install gromacs:</FONT></DIV>
<DIV><FONT face=Calibri>$ ./configure --enable-shared
LDFLAGS='-L/home/y1gao/soft/fftw/lib' CPPFLAGS='-I/home/y1gao/soft/fftw/include'
--enable-double --prefix=/home/y1gao/soft/gromacs/</FONT></DIV>
<DIV><FONT face=Calibri>$ make</FONT></DIV>
<DIV><FONT face=Calibri>$ make install</FONT></DIV>
<DIV><FONT face=Calibri>( error comes out here)</FONT></DIV>
<DIV><FONT face=Calibri></FONT> </DIV>
<DIV><FONT face=Calibri>*************************</FONT></DIV>
<DIV><FONT face=Calibri></FONT> </DIV>
<DIV><FONT face=Calibri>Could anyone help me find a way out? Thanks in
advance.</FONT></DIV>
<DIV><FONT face=Calibri></FONT> </DIV>
<DIV><FONT face=Calibri>Stone</FONT></DIV>
<DIV><FONT face=Calibri></FONT> </DIV></BODY></HTML>