Re: [ESPResSo-users] FFTW not found

[Chandan Choudhury]

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