Re: [AMBER] AMBER16 parallelisation and fftw3 error

From: Hai Nguyen <nhai.qn.gmail.com>
Date: Thu, 5 Oct 2017 18:20:47 -0400

> configure: error: could not find mpi library for --enable-mpi

it's here.

On Thu, Oct 5, 2017 at 5:41 PM, Shirin Jamshidi <shirinjamshidi.gmail.com>
wrote:

> Dear AMBER experts,
>
> Following directions of Amber 16 manual
>
> I have successively passed amber 16 serial installation.
> On the next step: installation of MPI
> Amber 16 reports error:
>
> cd $AMBERHOME
> ./configure -mpi -cuda -openmp gnu or
> ./configure -mpi -cuda gnu or
> ./configure -mpi gnu
>
> Configuring fftw-3.3 (may be time-consuming)...
>
> Error: FFTW configure returned 1
> FFTW configure failed! Check the fftw3_config.log file
> in the $AMBERHOME/AmberTools/src directory.
> Configure failed due to the errors above!
> Your advice how to fix the error highly appreciated.
>
>
> Best,
>
> Shirin
>
>
>
>
> fftw3_config.log file content :
>
> checking for a BSD-compatible install... /usr/bin/install -c
> checking whether build environment is sane... yes
> checking for a thread-safe mkdir -p... /usr/bin/mkdir -p
> checking for gawk... gawk
> checking whether make sets $(MAKE)... yes
> checking whether to enable maintainer-specific portions of Makefiles... no
> checking build system type... x86_64-unknown-linux-gnu
> checking host system type... x86_64-unknown-linux-gnu
> checking for gcc... gcc
> checking whether the C compiler works... yes
> checking for C compiler default output file name... a.out
> checking for suffix of executables...
> checking whether we are cross compiling... no
> checking for suffix of object files... o
> checking whether we are using the GNU C compiler... yes
> checking whether gcc accepts -g... yes
> checking for gcc option to accept ISO C89... none needed
> checking for style of include used by make... GNU
> checking dependency style of gcc... gcc3
> checking whether gcc and cc understand -c and -o together... yes
> checking for C compiler vendor... gnu
> checking for gcc option to accept ISO C99... -std=gnu99
> checking for gcc -std=gnu99 option to accept ISO Standard C... (cached)
> -std=gnu99
> checking whether ln -s works... yes
> checking whether make sets $(MAKE)... (cached) yes
> checking for a sed that does not truncate output... /usr/bin/sed
> checking for grep that handles long lines and -e... /usr/bin/grep
> checking for egrep... /usr/bin/grep -E
> checking for fgrep... /usr/bin/grep -F
> checking for ld used by gcc -std=gnu99... /usr/bin/ld
> checking if the linker (/usr/bin/ld) is GNU ld... yes
> checking for BSD- or MS-compatible name lister (nm)... /usr/bin/nm -B
> checking the name lister (/usr/bin/nm -B) interface... BSD nm
> checking the maximum length of command line arguments... 1572864
> checking whether the shell understands some XSI constructs... yes
> checking whether the shell understands "+="... yes
> checking for /usr/bin/ld option to reload object files... -r
> checking for objdump... objdump
> checking how to recognize dependent libraries... pass_all
> checking for ar... ar
> checking for strip... strip
> checking for ranlib... ranlib
> checking command to parse /usr/bin/nm -B output from gcc -std=gnu99
> object... ok
> checking how to run the C preprocessor... gcc -std=gnu99 -E
> checking for ANSI C header files... yes
> checking for sys/types.h... yes
> checking for sys/stat.h... yes
> checking for stdlib.h... yes
> checking for string.h... yes
> checking for memory.h... yes
> checking for strings.h... yes
> checking for inttypes.h... yes
> checking for stdint.h... yes
> checking for unistd.h... yes
> checking for dlfcn.h... yes
> checking for objdir... .libs
> checking if gcc -std=gnu99 supports -fno-rtti -fno-exceptions... no
> checking for gcc -std=gnu99 option to produce PIC... -fPIC -DPIC
> checking if gcc -std=gnu99 PIC flag -fPIC -DPIC works... yes
> checking if gcc -std=gnu99 static flag -static works... no
> checking if gcc -std=gnu99 supports -c -o file.o... yes
> checking if gcc -std=gnu99 supports -c -o file.o... (cached) yes
> checking whether the gcc -std=gnu99 linker (/usr/bin/ld -m elf_x86_64)
> supports shared libraries... yes
> checking whether -lc should be explicitly linked in... no
> checking dynamic linker characteristics... GNU/Linux ld.so
> checking how to hardcode library paths into programs... immediate
> checking whether stripping libraries is possible... yes
> checking if libtool supports shared libraries... yes
> checking whether to build shared libraries... yes
> checking whether to build static libraries... yes
> checking for ocamlbuild... no
> checking for mpicc... no
> checking for hcc... no
> checking for mpcc... no
> checking for mpcc_r... no
> checking for mpxlc... no
> checking for cmpicc... no
> checking for MPI_Init... no
> checking for MPI_Init in -lmpi... no
> checking for MPI_Init in -lmpich... no
> configure: error: could not find mpi library for --enable-mpi
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Thu Oct 05 2017 - 15:30:04 PDT
Custom Search