Re: [ESPResSo-users] FFTW not found

2013/12/10 Chandan Choudhury <address@hidden>

Thanks Olaf and Florian,

It did work. The commands passed was :

make clean; make distclean; ./configure --prefix=/data/home/chandan/bin --with-fftw=/opt/apps/fftw/3.3.3/double CPPFLAGS="-I/opt/apps/fftw/3.3.3/double/include -I/opt/apps/tcl/8515/include" LDFLAGS="-L/opt/apps/fftw/3.3.3/double/lib64 -L/opt/apps/tcl/8515/lib64"

Chandan
--
Chandan kumar Choudhury
NCL, Pune
INDIA

On Mon, Dec 9, 2013 at 9:07 PM, Olaf Lenz <address@hidden> wrote:

Hi!

Please keep your mailings and replies on the list, so that it is archived and others can profit from it.

To tell configure where the FFTW is found, use

configure CPPFLAGS="-I /path/to/fftw/include" LDFLAGS="-L /path/to/fftw/lib"

Olaf

2013/12/9 Chandan Choudhury <address@hidden>

Dear users,

I have shared the config.log at https://www.dropbox.com/s/3mx39bicr60p4s3/config.log

The problem is not solved.
****************************************************************
*         Checking for required tools and libraries            *
****************************************************************
checking for libtcl8.6... no
checking for libtcl8.5... yes
checking for tcl.h... yes
checking whether to use FFTW... /opt/apps/fftw/3.3.3/double

checking for library containing fftw_plan_many_dft... no
checking whether to use CUDA... guess
checking for nvcc... /usr/local/cuda/bin/nvcc
checking for cudaGetDevice in -lcudart... yes
checking for cufftPlan3d in -lcufft... yes
checking whether CUDA compiles... yes
checking whether CUDA runs... no
configure: WARNING: cannot run CUDA code. Some features will not be available!

Chandan

--
Chandan kumar Choudhury
NCL, Pune
INDIA

On Mon, Dec 9, 2013 at 8:45 PM, Florian Weik <address@hidden> wrote:

For me
./configure --prefix=/tmp/fftw-test/prefix --enable-shared --enable-sse2 --with-pic && make -j12 && make install
in the fftw source directory and then
./configure --prefix=/tmp/fftw-test --with-fftw=/tmp/fftw-test/prefix

worked (with fftw-3.3.3 and espresso-3.2.0). I think you have to give the fftw prefix explicitly, the prefix determines only where the binaries of espresso are installed.

Florian

On Mon, Dec 9, 2013 at 4:04 PM, Chandan Choudhury <address@hidden> wrote:

Dear Olaf and Florian,
Thanks for the reply.

I did compile fftw with double precision:

source_d=/opt/apps/fftw/3.3.3/double
make clean; make distclean;
./configure --prefix=$source_d --enable-shared --enable-sse2 --with-pic && make -j 8 && make -j 8 install && make clean ; make distclean

./configure --prefix=$source_d --enable-static --enable-sse2 --with-pic && make -j 8 && make -j 8 install && make clean ; make distclean

But, the compilation of espresso did not find FFTW.

./configure --prefix=/opt/apps/espresso/320

Chandan

--
Chandan kumar Choudhury
NCL, Pune
INDIA

On Mon, Dec 9, 2013 at 8:11 PM, Florian Weik <address@hidden> wrote:

Hello Chandan,
Espresso needs the double precision fftw ( -lfftw3, not -lfftw3 ). Please compile the double precision version and try again.

Cheers,
Florian

On Mon, Dec 9, 2013 at 3:32 PM, Chandan Choudhury <address@hidden> wrote:

Dear espresso users,

I downloaded the espresso 3.2.0 package and while trying to compile FFTW is not found :

****************************************************************
*         Checking for required tools and libraries            *
****************************************************************
checking for libtcl8.6... no
checking for libtcl8.5... yes
checking for tcl.h... yes
checking whether to use FFTW... guess
checking for library containing fftw_plan_many_dft... no
configure: WARNING: FFTW3 not found. Some features will not be available!
checking whether to use CUDA... guess
checking for nvcc... /usr/local/cuda/bin/nvcc
checking for cudaGetDevice in -lcudart... yes
checking for cufftPlan3d in -lcufft... yes
checking whether CUDA compiles... yes
checking whether CUDA runs... no
configure: WARNING: cannot run CUDA code. Some features will not be available!
...../
......
****************************************************************
*                   Configuration summary                      *
****************************************************************
platform detected       = x86_64-unknown-linux-gnu
package version         = 3.2.0
development sources     = no

Compiler
--------
compiler                = mpicc -std=gnu99
linker                  =
c compiler flags        = -Wall -O5
c preprocessor flags    = -I/opt/apps/tcl/861/include/
linker flags            = -L/opt/apps/tcl/861/lib
libraries               = -ltcl8.5 -lm
using debug flags       =
using profiling flags   =
inline                  =

Libraries
---------
Tcl version             = tcl8.5
Tk version              = none
FFTW                    = no
efence                  = no

Other settings
--------------
local config header     = myconfig.h
installation prefix     = /opt/apps/espresso/320
number of test tasks    = 8
mympiexec               = /opt/untar/espresso-3.2.0/mympiexec.sh
mpiexec                 = /opt/openmpi-1.6/bin/mpiexec
pdflatex                = /usr/bin/pdflatex
makeindex               = /usr/bin/makeindex
bibtex                  = /usr/bin/bibtex
doxygen                 = /usr/bin/doxygen
dot                     = /usr/bin/dot
python                  = /usr/bin/python -B

CUDA disabled or not supported.

The bashrc contain the following lines:
##fftw-3.3.3
export LD_LIBRARY_PATH=/opt/apps/fftw/3.3.3/single/lib64:$LD_LIBRARY_PATH
export PATH=/opt/apps/fftw/3.3.3/single/bin:$PATH
export LDFLAGS="-L/opt/apps/fftw/3.3.3/single/lib64"
export CPPFLAGS="-I/opt/apps/fftw/3.3.3/single/include/"
##openmpi-1.6
export LD_LIBRARY_PATH=/opt/openmpi-1.6/lib:$LD_LIBRARY_PATH
export PATH=/opt/openmpi-1.6/bin:$PATH
export LDFLAGS="-L/opt/openmpi-1.6/lib"
export CPPFLAGS="-I/opt/openmpi-1.6/include/"

##tk-8.6.1
export LD_LIBRARY_PATH=/opt/apps/tk/861/lib64:$LD_LIBRARY_PATH
export PATH=/opt/apps/tk/861/bin:$PATH
export LDFLAGS="-L/opt/apps/tk/861/lib64"
export CPPFLAGS="-I/opt/apps/tk/861/include/"
##tcl-8.6.1
export LD_LIBRARY_PATH=/opt/apps/tcl/861/lib:$LD_LIBRARY_PATH
export PATH=/opt/apps/tcl/861/bin:$PATH
export LDFLAGS="-L/opt/apps/tcl/861/lib"
export CPPFLAGS="-I/opt/apps/tcl/861/include/"

The FFTW I tried to compile is 3.3.3 single precision.

I have source the /etc/bash.bashrc before compiling, but the problem is not solved. Kindly help.

Chandan

--
Chandan kumar Choudhury
NCL, Pune
INDIA

--
Florian Weik

address@hidden
++49 157 85939252

--
Florian Weik

address@hidden
++49 157 85939252

--
Dr. rer. nat. Olaf Lenz
Institut für Computerphysik, Allmandring 3, D-70569 Stuttgart

Phone: +49-711-685-63607

Dr. rer. nat. Olaf Lenz

Institut für Computerphysik, Allmandring 3, D-70569 Stuttgart

Phone: +49-711-685-63607

From:	Olaf Lenz
Subject:	Re: [ESPResSo-users] FFTW not found
Date:	Tue, 10 Dec 2013 13:12:28 +0100