Dear community.<br><br>I have been trying to install gromacs 4.5.4 in my rocks cluster version 5.4 but
unfortunately the system showed "<span style="background-color: rgb(255, 255, 0);">configure: error: Cannot find fftw3 library</span>" after launch the ./configure (you can see below)<br><br>Really I do not understand because I did before this:<br>
<br># export LDFLAGS="-L/opt/rocks/lib"<div>
<span style="font-size: 13px;"># export CPPFLAGS="-I/opt/rocks/include"</span></div><blockquote style="margin: 0pt 0pt 0pt 0.8ex; border-left: 1px solid rgb(204, 204, 204); padding-left: 1ex;">
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# ./configure --enable-mpi --disable-float --prefix=/share/apps/opt/gromacs</td></tr></tbody></table></div></td></tr></tbody></table></div></td></tr></tbody></table>
</div></td></tr></tbody></table></div></td></tr></tbody></table></blockquote><div> <span style="font-size: 13px;">configure: error: Cannot find fftw3 library</span></div>
<br>I would be very grateful if someone could help me or give me
advices. By the way... I am trying to reproduce the steps posted in <a rel="nofollow" href="http://software.intel.com/en-us/articles/compile-and-run-gromacs-453-in-icr/" target="_blank">http://software.intel.com/en-us/articles/compile-and-run-gromacs-453-in-icr/</a> for<h1 style="width: 530px;">
<font><font size="2">"compile and run GROMACS 4.5.3 in the Intel(R) Cluster Ready Reference Recipe S5520UR-ICR1.1-ROCKS5.3-CENTOS5.4-C2 v1.0" <br></font></font></h1><h1 style="width: 530px;"><font style="font-weight: normal;"><font size="2">and the option <span style="background-color: rgb(255, 255, 0);">"</span></font></font><font style="background-color: rgb(255, 255, 0); font-weight: normal;" size="2">--disable-float"</font><font><font size="2"><span style="font-weight: normal;"> is not
clear for me.</span></font></font></h1><br>Thank you in advance.<br><br>Miguel Quiliano.<br>
<br><span style="font-weight: bold;">P.S I attach the error</span><br><br><br># ./configure --enable-mpi --disable-float --prefix=/share/apps/opt/gromacs<br>checking build system type... x86_64-unknown-linux-gnu<br>checking host system type... x86_64-unknown-linux-gnu<br>
checking for a BSD-compatible install... /usr/bin/install -c<br>checking whether build environment is sane... yes<br>checking for a thread-safe mkdir -p... /bin/mkdir -p<br>checking for gawk... gawk<br>checking whether make sets $(MAKE)...
yes<br>checking how to create a ustar tar archive... gnutar<br>checking for cc... cc<br>checking for C compiler default output file name... a.out<br>checking whether the C compiler works... yes<br>checking whether we are cross compiling... no<br>
checking for suffix of executables... <br>checking for suffix of object files... o<br>checking whether we are using the GNU C compiler... yes<br>checking whether cc accepts -g... yes<br>checking for cc option to accept ISO C89... none needed<br>
checking for style of include used by make... GNU<br>checking dependency style of cc... gcc3<br>checking dependency style of cc... gcc3<br>checking for mpxlc... no<br>checking for mpicc... mpicc<br>checking whether the MPI cc command works... yes<br>
checking for MPI_IN_PLACE in collective operations... yes<br>checking for catamount... no<br>checking how to run the C preprocessor... mpicc -E<br>checking for grep that handles long lines and -e... /bin/grep<br>checking for
egrep... /bin/grep -E<br>checking whether ln -s works... yes<br>checking whether mpicc accepts -O3... yes<br>checking whether mpicc accepts -msse2... yes<br>checking whether mpicc accepts -funroll-all-loops... yes<br>checking whether mpicc accepts -std=gnu99... yes<br>
checking whether mpicc accepts -fexcess-precision=fast... no<br>checking
whether mpicc accepts -O3 -fomit-frame-pointer -finline-functions
-Wall -Wno-unused -msse2 -funroll-all-loops -std=gnu99... yes<br>checking whether byte ordering is bigendian... no<br>
checking that size_t can hold pointers... yes<br>checking for SIGUSR1... yes<br>checking for pipes... yes<br>checking floating-point format... IEEE754 (little-endian byte and word order)<br>checking whether ln -s works... yes<br>
checking whether make sets $(MAKE)... (cached) yes<br>checking for a sed that does not truncate output... /bin/sed<br>checking for ld used by mpicc... /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 how to recognise dependent libraries... pass_all<br>checking dlfcn.h usability... yes<br>
checking dlfcn.h presence... yes<br>checking for dlfcn.h... yes<br>checking whether we are using the GNU C++ compiler... yes<br>checking whether mpicc accepts -g... yes<br>checking dependency style of mpicc... gcc3<br>checking how to run the C++ preprocessor... mpicc -E<br>
checking the maximum length of command line arguments... 32768<br>checking command to parse /usr/bin/nm -B output from mpicc object... failed<br>checking for objdir... .libs<br>checking for ar... ar<br>checking for ranlib... ranlib<br>
checking for strip... strip<br>checking if mpicc supports -fno-rtti -fno-exceptions... no<br>checking for mpicc option to produce PIC... -fPIC<br>checking if mpicc PIC flag -fPIC works... yes<br>checking if mpicc static flag
-static works... no<br>checking if mpicc supports -c -o file.o... yes<br>checking whether the mpicc linker (/usr/bin/ld -m elf_x86_64) supports shared libraries... yes<br>checking whether -lc should be explicitly linked in... no<br>
checking dynamic linker characteristics... GNU/Linux ld.so<br>checking how to hardcode library paths into programs... immediate<br>checking whether stripping libraries is possible... yes<br>checking for shl_load... no<br>
checking for shl_load in -ldld... no<br>checking for dlopen... yes<br>checking whether a program can dlopen itself... yes<br>checking whether a statically linked program can dlopen itself... yes<br>checking if libtool supports shared libraries... yes<br>
checking whether to build shared libraries... yes<br>checking whether to build static libraries... yes<br>configure: creating libtool<br>appending configuration tag "CXX" to libtool<br>checking for ld used by mpicc... /usr/bin/ld -m elf_x86_64<br>
checking if
the linker (/usr/bin/ld -m elf_x86_64) is GNU ld... yes<br>checking whether the mpicc linker (/usr/bin/ld -m elf_x86_64) supports shared libraries... yes<br>checking for mpicc option to produce PIC... -fPIC<br>checking if mpicc PIC flag -fPIC works... yes<br>
checking if mpicc static flag -static works... no<br>checking if mpicc supports -c -o file.o... yes<br>checking whether the mpicc linker (/usr/bin/ld -m elf_x86_64) supports shared libraries... yes<br>checking dynamic linker characteristics... GNU/Linux ld.so<br>
checking how to hardcode library paths into programs... immediate<br>appending configuration tag "F77" to libtool<br>checking for special C compiler options needed for large files... no<br>checking for _FILE_OFFSET_BITS value needed for large files... no<br>
checking for _LARGEFILE_SOURCE value needed for large files... no<br>checking for sqrt in -lm... yes<br>checking for fftw3.h... yes<br>checking for main in -lfftw3... no<br><span style="background-color: rgb(255, 255, 0);">configure:
error: Cannot find fftw3 library</span><br>