<table cellspacing="0" cellpadding="0" border="0" ><tr><td valign="top" style="font: inherit;">Dear all,<br>
i
want to install mdrun_make_hole in my home directory(/home/cm/install).
For that the steps i have followed are..........<br>
<span style="text-decoration: underline;">1) installation of fftw<br>
</span>cd /home/cm/install<span style="text-decoration: underline;"><br>
</span>cp fftw-3.2.1.tar.tar ../<br>
tar -zxvf fftw-3.2.1.tar.tar<br>
cd fftw-3.2.1.<br>
<span style="font-weight: bold;"> ./configure --enable-float --enable-threads --prefix=/home/cm/install/fftw-3.2.1</span><br style="font-weight: bold;">
<span style="font-weight: bold;">make</span><br style="font-weight: bold;">
<span style="font-weight: bold;">make install<br>
</span>after that the files generated in <span style="font-weight: bold;">/home/cm/install/fftw-3.2.1/include</span> are.....<br>
fftw3.f fftw3.h<br>
and in <span style="font-weight: bold;">/home/cm/install/fftw-3.2.1/lib </span>are <br>
libfftw3f.a libfftw3f.la libfftw3f_threads.a libfftw3f_threads.la pkgconfig<br>
<span style="text-decoration: underline;">2) installation of gromacs-3.1.4</span><br>
cd /home/cm/install<br>
cp gromacs-3.1.4.tar.gz ../<br>
tar -zxvf gromacs-3.1.4.tar.gz<br>
cd gromacs-3.1.4.<br>
cp /home/cm/Desktop/mdrun_make_hole.tar.gz . <br>
zcat mdrun_make_hole.tar.gz |tar -xvzf -<br>
cd ../../ i.e. in /home/cm<br>
vi bashrc<br>
two lines added........<br>
<span style="font-weight: bold;">export CPPFLAGS=-I/home/cm/install/fftw-3.2.1/include</span><br style="font-weight: bold;">
<span style="font-weight: bold;">export LDFLAGS=-L/home/cm/install/fftw-3.2.1/lib</span><br>
cd /home/cm/install/gromacs-3.1.4.<br>
<span style="font-weight: bold;">./configure --enable-float --prefix=/home/cm/install --program-suffix=_h</span><br>
----------------------------------------------------------------------------<br>
checking build system type... i686-pc-linux-gnu<br>
checking host system type... i686-pc-linux-gnu<br>
checking for a BSD compatible install... /usr/bin/install -c<br>
checking whether build environment is sane... yes<br>
checking for awk... awk<br>
checking whether make sets ${MAKE}... yes<br>
checking for cc... cc<br>
checking for C compiler default output... a.out<br>
checking whether the C compiler works... yes<br>
checking whether we are cross compiling... no<br>
checking for executable suffix...<br>
checking for object suffix... o<br>
checking whether we are using the GNU C compiler... yes<br>
checking whether cc accepts -g... yes<br>
checking for style of include used by make... GNU<br>
checking dependency style of cc... gcc3<br>
checking how to run the C preprocessor... cc -E<br>
checking whether cc accepts -O6... yes<br>
checking whether cc accepts -malign-double... yes<br>
checking whether cc accepts -funroll-all-loops... yes<br>
checking whether cc accepts -O6 -fomit-frame-pointer
-finline-functions -Wall -Wno-unused -malign-double
-funroll-all-loops... yes<br>
checking whether your compiler can handle assembly files (*.s)... yes<br>
checking whether as fully supports intel syntax SSE & 3DNow... yes<br>
checking for ident... /usr/bin/ident<br>
checking whether the compiler supports ident... yes<br>
checking for ld used by GCC... /usr/bin/ld<br>
checking if the linker (/usr/bin/ld) is GNU ld... yes<br>
checking for /usr/bin/ld option to reload object files... -r<br>
checking for BSD-compatible nm... /usr/bin/nm -B<br>
checking whether ln -s works... yes<br>
checking how to recognise dependant libraries... file_magic ELF [0-9][0-9]*-bit [LM]SB (shared object|dynamic lib )<br>
checking for dlfcn.h... yes<br>
checking the maximum length of command line arguments... 32768<br>
checking command to parse /usr/bin/nm -B output from cc object... ok<br>
checking for objdir... .libs<br>
checking for ranlib... ranlib<br>
checking for strip... strip<br>
checking for file... /usr/bin/file<br>
checking if cc static flag works... yes<br>
checking if cc supports -fno-rtti -fno-exceptions... no<br>
checking for cc option to produce PIC... -fPIC<br>
checking if cc PIC flag -fPIC works... yes<br>
checking if cc PIC define -DPIC works... yes<br>
checking if cc supports -c -o file.o... yes<br>
checking whether the cc linker (/usr/bin/ld) supports shared libraries... yes<br>
checking how to hardcode library paths into programs... immediate<br>
checking whether stripping libraries is possible... yes<br>
checking dynamic linker characteristics... GNU/Linux ld.so<br>
checking if libtool supports shared libraries... yes<br>
checking whether to build shared libraries... no<br>
checking whether to build static libraries... yes<br>
configure: creating libtool<br>
checking whether ln -s works... yes<br>
checking for special C compiler options needed for large files... no<br>
checking for _FILE_OFFSET_BITS value needed for large files... 64<br>
checking for _LARGE_FILES value needed for large files... no<br>
checking for _LARGEFILE_SOURCE value needed for large files... 1<br>
checking for fseeko... yes<br>
checking for sqrt in -lm... yes<br>
checking for sfftw.h... no<br>
checking for fftw.h... no<br>
configure: error: Cannot find any single precision sfftw.h or fftw.h<br>
Do you have single precision FFTW installed? If you are using packages,<br>
note that you also need fftw-devel to compile GROMACS. You can find the<br>
software at www.fftw.org, and detailed instructions at www.gromacs.org.<br>
If you compiled FFTW yourself:<br>
Note that the default FFTW setup is double precision. Change the FFTW<br>
configuration to single with --enable-float. If you want MPI support,<br>
use --enable-mpi. It is a good idea to install both single & double.<br>
If your sysadm doesn't want to install it you can do it to a location<br>
in your home directory and provide the correct paths in the CPPFLAGS<br>
and LDFLAGS environment variables before running configure.<br>
That is also necessary to do if your compiler doesn't search<br>
/usr/local/include and /usr/local/lib by default.<br>
You can find information at www.gromacs.org, or in the INSTALL file.<br>
------------------------------------------------------------------------------------------------------------<br>
<span style="font-weight: bold;">make</span><br>
make: *** No targets specified and no makefile found. Stop.<br>
<br>
Please suggest any wayout.<br>
Thanks in advance.<br>
<br>
Moutusi Manna<br>
<br>
<br>
</td></tr></table><br>
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