Installation on Cygwin

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sukusap
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Installation on Cygwin

Post by sukusap » 01 Jul 2014, 07:52

I am facing problem in Installing DALTON on Cygwin. I have a 64bit Machine with AMD FX(tm)-8150 Eight Core Processsor/32GB RAM/2TB HDD/4GB 2x2 Graphics. Please help.

bast
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Re: Installation on Cygwin

Post by bast » 03 Jul 2014, 13:47

please describe the problem otherwise it is difficult to help.

sukusap
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Re: Installation on Cygwin

Post by sukusap » 03 Jul 2014, 14:13

Would it be possible to give a list of commands in order to install and run DALTON on Cygwin. Thanks in advance

l0rd
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Re: Installation on Cygwin

Post by l0rd » 11 Jul 2014, 17:06

I also face the same problem. I've installed cmake, and then when i run ./setup and then make I get a lot of errors:

Built target generate_binary_inf о
Scanning dependencies of target dalton
Building С object CMakeFiles/dalton-dir/DALTON/dft/fun-b97-3.c .o
/cygdrive/d/soft/dalton/DALTON/dft/fun-b97-3.с: В Функции <b97_3_energy>:
/cygdrive/d/soft/dalton/DALTON/dft/fun-b97-3.с:180:14: : <M_PI> undeclared <first use in this function)

and so on..

bast
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Re: Installation on Cygwin

Post by bast » 14 Jul 2014, 12:48

we have fixed the problem with M_PI on Cygwin in Dalton 2013.2 - are you using the latest version
of Dalton?

sukusap
Posts: 3
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Country: India

Re: Installation on Cygwin

Post by sukusap » 14 Jul 2014, 13:25

Yes I am using the latest version of Dalton 2013.3

l0rd
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Country: Italy

Re: Installation on Cygwin

Post by l0rd » 14 Jul 2014, 15:12

l0rd wrote:I also face the same problem. I've installed cmake, and then when i run ./setup and then make I get a lot of errors:

Built target generate_binary_inf о
Scanning dependencies of target dalton
Building С object CMakeFiles/dalton-dir/DALTON/dft/fun-b97-3.c .o
/cygdrive/d/soft/dalton/DALTON/dft/fun-b97-3.с: В Функции <b97_3_energy>:
/cygdrive/d/soft/dalton/DALTON/dft/fun-b97-3.с:180:14: : <M_PI> undeclared <first use in this function)

and so on..
sukusap wrote:we have fixed the problem with M_PI on Cygwin in Dalton 2013.2 - are you using the latest version
of Dalton?


ooops..Yes, with the version 3 it works (win7/cygwin). I'm now checking the installation and 25 test out of 552 are passed.

bast
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Re: Installation on Cygwin

Post by bast » 14 Jul 2014, 16:53

sukusap wrote:Yes I am using the latest version of Dalton 2013.3
i have no possibility to test Dalton on (cyg)win and therefore cannot create installation
instructions. so if you experience problems other than those
already reported, then please post them in this forum.

l0rd
Posts: 5
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Country: Italy

Re: Installation on Cygwin

Post by l0rd » 15 Jul 2014, 08:13

I still need some clues. Installation was successful (there were several warnings, something about implicit declaration of function strcasecmp),
but testing was not - i didn't run all the tests, but there were 3 or 4 errors in the first 50 tests.

Thanks in advance

UPD


I found the problem. Windows doesn't allow * symbol in the filename, so that test that involved any *-basis sets
failed.

bast
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Re: Installation on Cygwin

Post by bast » 16 Jul 2014, 17:46

l0rd wrote:I still need some clues. Installation was successful (there were several warnings, something about implicit declaration of function strcasecmp),
but testing was not - i didn't run all the tests, but there were 3 or 4 errors in the first 50 tests.

Thanks in advance

UPD


I found the problem. Windows doesn't allow * symbol in the filename, so that test that involved any *-basis sets
failed.
thanks for the solution. i am putting this in our bug tracking.

l0rd
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Re: Installation on Cygwin

Post by l0rd » 18 Jul 2014, 11:29

Ok, "sequential" version seemed to run properly.
Now, could anyone please help me with the installation
of the parallel version of Dalton on CYGWIN?

I install openmpi packages while installing
cygwin, and I got this error:

Code: Select all

./setup --omp --mpi

Make Error at /usr/share/cmake-2.8.9/Modules/CMakeDetermineFortranCompiler.cmake:31 <MESSfiGE>:
Could not find compiler set in environment variable FC:
mpif90.
all Stack <most recent call first>:
CMakeLists.txt:12 <project>
Make Error: Error required internal CMake variable not set, cmake may be not be built correctly,
issing variable is:
MAKE_Fortran_COMPILER JENU_UAR
Make Error: Error required internal CMake variable not set, cmake may be not be built correctly,
issing variable is:
MA KE_Fo rt ran _COMPILER
Make Error: Could not find cmake module file:/cygdrive/d/soft/dalton/build/CMakeFiles/CMakeFortranCompiler.cmake
Make Error: Error required internal CMake variable not set, cmake may be not be built correctly,
issing variable is:
MAKE_C_COMPILER JENU_UAR
Make Error: Error required internal CMake variable not set, cmake may be not be built correctly,
issing variable is:
MAKE_C_COMPILER
Make Error: Could not find cmake module file:/cygdrive/d/soft/dalton/build/CMakeFiles/CMakeCCompiler.cmake
Make Error: Error required internal CMake variable not set, cmake may be not be built correctly,
issing variable is:
MAKE_CXX_COMPILER JENU_UAR
Make Error: Error required internal CMake variable not set, cmake may be not be built correctly,
issing variable is:
MAKE_CXX.COMPILER
Make Error: Could not find cmake module file:/cygdrive/d/soft/dalton/build/CMakeFiles/CMakeCXXCompiler.cmake
Make Error: CMAKE_Fortran_COMPILER not set, after EnableLanguage
Make Error: CMAKE_C_COMPILER not set, after EnableLanguage
Make Error: CMAKE_CXX_COMPILER not set, after EnableLanguage
- Configuring incomplete, errors occurred?
If I understand correctly I have to configure somehow that openmpi, to set all these variables, but i have no idea how to do it.

Many thanks in advance.

bast
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Re: Installation on Cygwin

Post by bast » 18 Jul 2014, 11:35

i don't know cygwin but what all these errors probably mean is that if you type

Code: Select all

mpif90 --version
you probably get

Code: Select all

mpif90: command not found
when you type:

Code: Select all

./setup --mpi ...
then cmake tries to compile with mpif90, mpicc, and mpicxx.
these are either not in the PATH or have different name on cygwin.

l0rd
Posts: 5
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First name(s): Siarhei
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Affiliation: UNIPR
Country: Italy

Re: Installation on Cygwin

Post by l0rd » 18 Jul 2014, 14:01

Here they are

Code: Select all

$ mpif90 --version
GNU Fortran <GCC> 4.8.3
Copyright <C> 2013 Free Software Foundation, Inc.
GNU Fortran comes with NO WARRANTY, to the extent permitted by law.
You may redistribute copies of GNU Fortran
under the terms of the GNU General Public License.
For more information about these matters, see the file named COPYING

Code: Select all

$ which mpif90
/usr/bin/mpif90
The same for mpicc and mpicxx

bast
Posts: 1210
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Country: Germany

Re: Installation on Cygwin

Post by bast » 22 Jul 2014, 10:48

thanks.

the setup script sets the variables FC, CC, CXX in your case to mpif90, mpicc, mpicxx.

cmake then checks this:

Code: Select all

  IF($ENV{FC} MATCHES ".+")
    GET_FILENAME_COMPONENT(CMAKE_Fortran_COMPILER_INIT $ENV{FC} PROGRAM PROGRAM_ARGS CMAKE_Fortran_FLAGS_ENV_INIT)
    IF(CMAKE_Fortran_FLAGS_ENV_INIT)
      SET(CMAKE_Fortran_COMPILER_ARG1 "${CMAKE_Fortran_FLAGS_ENV_INIT}" CACHE STRING "First argument to Fortran compiler")
    ENDIF(CMAKE_Fortran_FLAGS_ENV_INIT)
    IF(EXISTS ${CMAKE_Fortran_COMPILER_INIT})
    ELSE(EXISTS ${CMAKE_Fortran_COMPILER_INIT})
      MESSAGE(FATAL_ERROR "Could not find compiler set in environment variable FC:\n$ENV{FC}.")
    ENDIF(EXISTS ${CMAKE_Fortran_COMPILER_INIT})
  ENDIF($ENV{FC} MATCHES ".+")
what the cmake error really means is that the file behind FC, ... does not exist.
you proved that it does exist but cmake does not agree. i don't know why.

when you execute setup, you see the cmake command line generated on top.
it looks similar to this one:

Code: Select all

 FC=mpif90 CC=mpicc CXX=mpicxx cmake -DENABLE_MPI=ON -DENABLE_SGI_MPT=OFF -DENABLE_OMP=OFF -DENABLE_64BIT_INTEGERS=OFF -DENABLE_OPENACC=OFF -DENABLE_COLLAPSE=OFF -DENABLE_CSR=OFF -DENABLE_SCALASCA=OFF -DENABLE_VAMPIRTRACE=OFF -DENABLE_TIMINGS=OFF -DENABLE_XCFUN=OFF -DENABLE_INTEREST=OFF -DENABLE_ICHOR=OFF -DENABLE_STATIC_LINKING=OFF -DENABLE_SCALAPACK=OFF -DCMAKE_BUILD_TYPE=release /some/path
observe how FC, CC, and CXX is set at the beginning. perhaps this fails on cygwin.
you could try to export them instead.
with this command you can bypass setup and run cmake directly:

Code: Select all

$ mkdir build
$ cd build
$ # here execute cmake command
$ make
you can also try to configure with full compiler path

good luck!

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