1. what are the answer for CONFIRMATION OF REGISTRATION when register in dalton forum ?

  2. install got error, how to install dalton 2015

wonder@wonder-VirtualBox:~/dalton/DALTON-Source$ uname -r 3.8.0-29-generic

wonder@wonder-VirtualBox:~/dalton/DALTON-Source$ sudo apt-get install openmpi-bin openmpi-dev
    [sudo] password for wonder: 
    Reading package lists... Done
    Building dependency tree       
    Reading state information... Done
    Note, selecting 'libopenmpi-dev' instead of 'openmpi-dev'
    libopenmpi-dev is already the newest version.
    libopenmpi-dev set to manually installed.
    The following packages were automatically installed and are no longer required:
      libghc-regex-posix-dev libghc-http-dev libghc-stm-dev libghc-quickcheck2-dev
      libxmu-headers mesa-common-dev libghc-hunit-dev libghc-cgi-dev alex
      libghc-monadcatchio-mtl-dev libghc-syb-dev ghc-haddock happy
      libglu1-mesa-dev libdrm-dev freeglut3-dev libghc-html-dev libxt-dev
      libxmu-dev libghc-regex-base-dev libghc-fgl-dev gap-libs cabal-install
      libghc-opengl-dev libgl1-mesa-dev libghc-random-dev libkms1
      libghc-haskell-src-dev libghc-regex-compat-dev libghc-xhtml-dev freeglut3
      libghc-glut-dev libghc-parallel-dev
    Use 'apt-get autoremove' to remove them.
    The following extra packages will be installed:
      blcr-util libcr0 openmpi-checkpoint
    Suggested packages:
      blcr-dkms gfortran
    The following NEW packages will be installed:
      blcr-util libcr0 openmpi-bin openmpi-checkpoint
    0 upgraded, 4 newly installed, 0 to remove and 404 not upgraded.
    Need to get 239 kB of archives.
    After this operation, 729 kB of additional disk space will be used.
    Do you want to continue [Y/n]? y
    Get:1 http://us.archive.ubuntu.com/ubuntu/ precise-updates/universe libcr0 i386 0.8.2-15ubuntu2.1 [21.3 kB]
    Get:2 http://us.archive.ubuntu.com/ubuntu/ precise-updates/universe blcr-util i386 0.8.2-15ubuntu2.1 [27.5 kB]
    Get:3 http://us.archive.ubuntu.com/ubuntu/ precise/universe openmpi-bin i386 1.4.3-2.1ubuntu3 [152 kB]
    Get:4 http://us.archive.ubuntu.com/ubuntu/ precise/universe openmpi-checkpoint i386 1.4.3-2.1ubuntu3 [38.8 kB]
    Fetched 239 kB in 1s (159 kB/s)                 
    Selecting previously unselected package libcr0.
    (Reading database ... 192321 files and directories currently installed.)
    Unpacking libcr0 (from .../libcr0_0.8.2-15ubuntu2.1_i386.deb) ...
    Selecting previously unselected package blcr-util.
    Unpacking blcr-util (from .../blcr-util_0.8.2-15ubuntu2.1_i386.deb) ...
    Selecting previously unselected package openmpi-bin.
    Unpacking openmpi-bin (from .../openmpi-bin_1.4.3-2.1ubuntu3_i386.deb) ...
    Selecting previously unselected package openmpi-checkpoint.
    Unpacking openmpi-checkpoint (from .../openmpi-checkpoint_1.4.3-2.1ubuntu3_i386.deb) ...
    Processing triggers for man-db ...
    Setting up libcr0 (0.8.2-15ubuntu2.1) ...
    Setting up blcr-util (0.8.2-15ubuntu2.1) ...
    Setting up openmpi-bin (1.4.3-2.1ubuntu3) ...
    update-alternatives: using /usr/bin/mpirun.openmpi to provide /usr/bin/mpirun (mpirun) in auto mode.
    Setting up openmpi-checkpoint (1.4.3-2.1ubuntu3) ...
    Processing triggers for libc-bin ...
    ldconfig deferred processing now taking place
    wonder@wonder-VirtualBox:~/dalton/DALTON-Source$ ./setup --mpi
Configuring system: Ubuntu
 FC=mpif90 CC=mpicc CXX=mpicxx cmake -DENABLE_MPI=ON 
 -DCMAKE_BUILD_TYPE=release /home/wonder/dalton/DALTON-Source

CMake Error at /usr/share/cmake-2.8/Modules/CMakeTestFortranCompiler.cmake:40 (MESSAGE):
  The Fortran compiler "/usr/bin/mpif90" is not able to compile a simple test

It fails with the following output:

   Change Dir: /home/wonder/dalton/DALTON-Source/build/CMakeFiles/CMakeTmp

  Run Build Command:/usr/bin/make "cmTryCompileExec/fast"

  /usr/bin/make -f CMakeFiles/cmTryCompileExec.dir/build.make

  make[1]: Entering directory

  /usr/bin/cmake -E cmake_progress_report
  /home/wonder/dalton/DALTON-Source/build/CMakeFiles/CMakeTmp/CMakeFiles 1

  Building Fortran object

  /usr/bin/mpif90 -c
  -o CMakeFiles/cmTryCompileExec.dir/testFortranCompiler.f.o


  The Open MPI wrapper compiler was unable to find the specified compiler

  gfortran in your PATH.

  Note that this compiler was either specified at configure time or in

  one of several possible environment variables.


  make[1]: Leaving directory

  make[1]: *** [CMakeFiles/cmTryCompileExec.dir/testFortranCompiler.f.o]
  Error 1

  make: *** [cmTryCompileExec/fast] Error 2

  CMake will not be able to correctly generate this project.
Call Stack (most recent call first):
  CMakeLists.txt:18 (project)

-- The Fortran compiler identification is unknown
-- The C compiler identification is GNU
-- The CXX compiler identification is GNU
-- Check for working Fortran compiler: /usr/bin/mpif90
-- Check for working Fortran compiler: /usr/bin/mpif90  -- broken
-- Configuring incomplete, errors occurred!

wonder@wonder-VirtualBox:~/dalton/DALTON-Source$ ls -l /usr/bin/mpif90
lrwxrwxrwx 1 root root 24 Dec 12 22:51 /usr/bin/mpif90 -> /etc/alternatives/mpif90
  • 1
    $\begingroup$ I suggest you better try to search/ask on their own forum. $\endgroup$ – Wildcat Apr 19 '15 at 13:32
  • $\begingroup$ Or, wait. You know about the forum. If you have some problems with registering there, Chemistry.SE in obviously not the right place to ask about it. $\endgroup$ – Wildcat Apr 19 '15 at 13:35
  • 1
    $\begingroup$ But for me it looks like you don't even have Fortran compiler (gfortran) installed. Try install it by something like sudo apt-get install gfortran and run DALTON's setup after it. $\endgroup$ – Wildcat Apr 19 '15 at 13:38
  • 4
    $\begingroup$ I'm voting to close this question as off-topic. $\endgroup$ – RE60K Apr 19 '15 at 14:18
  • $\begingroup$ i do not know the answer when fill in information when register in the forum $\endgroup$ – Khovanov Apr 25 '15 at 18:08

As pointed out by Wildcat have a look at these messages:

CMake Error at /usr/share/cmake-2.8/Modules/CMakeTestFortranCompiler.cmake:40 (MESSAGE): The Fortran compiler "/usr/bin/mpif90" is not able to compile a simple test program.


The Open MPI wrapper compiler was unable to find the specified compiler gfortran in your PATH.

mpif90 is a environment variable set by (older versions of) MPICH and is actually deprecated in recent versions of Open MPI.

So, it you didn't forget to install gfortran, what is the value of mpif90 on your system?

  • $\begingroup$ how to show the value of mpif90? maybe i forget to install gfortran, i will tomorrow $\endgroup$ – Khovanov Apr 25 '15 at 18:08

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