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PSIO error in "make tests" about psi4 HOT 2 CLOSED

psi4 avatar psi4 commented on May 18, 2024
PSIO error in "make tests"

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robparrish avatar robparrish commented on May 18, 2024

This typically indicates that either (A) the scratch file directory does
not exist or (B) the user does not have permissions to write to the scratch
file directory. To diagnose (A), echo the PSI_SCRATCH environment variable,
and make sure it points to a reasonable (non-NFS) path. To diagnose (B) ls
-l the base scratch directory and check that write permissions are enables
for the user.

See the following notes from the INSTALL.rst file:

  • Step 7: User Configuration

    After the PSI4 package has been successfully installed, the user will need
    to add the installation directory into his/her path. If the package has
    been installed in the default location /usr/local/psi, then in C
    shell,
    the user should add something like the following to their .cshrc
    file::

    setenv PSI /usr/local/psi
    set path = ($path $PSI/bin)

    Next, the user needs to tell the PSI4 I/O manager how to handle scratch
    files.
    Identify the path to a fast scratch disk for which the user has write
    access.
    If the local /tmp volume is large enough, it might be used.
    However, a dedicated scratch volume (using RAID0 striping for speed) is
    recommended.

    .. warning:: Scratch should NOT be a NFS-mounted volume, as writes to a
    remote disk over the network can be very slow and can tie up the
    network
    and negatively impact other users.

    Specify scratch location by editing the .cshrc file to set the scratch
    environment variable :envvar:PSI_SCRATCH. If the selected location is
    /scratch/user, add something like the following::

    setenv PSI_SCRATCH /scratch/user

    In a bash shell, the corresponding commands to be added to .bashrc is
    the following::

    export PSI=/usr/local/psi
    PATH=$PSI/bin:$PATH ; export PATH
    export PSI_SCRATCH=/scratch/user

    More advanced control of scratch files and is handled through a
    .psi4rc file, which is discussed at section :ref:sec:psirc.

    .. note:: For developers: during compilation and testing, PSI4 finds its
    basis sets,
    grids, etc., in psi4/lib. After installation, PSI4 will look in
    $prefix/share/psi. If you want to specify a non-standard location for
    this
    information, you can do this by setting the environmental variable
    $PSI4DATADIR to the directory containg the basis, grids, etc.,
    subdirectories.

-Rob

On Fri, Apr 11, 2014 at 9:39 AM, zxinfish [email protected] wrote:

Reopened #56 #56.

Reply to this email directly or view it on GitHubhttps://github.com//issues/56
.

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zxinfish avatar zxinfish commented on May 18, 2024

Many thanks for your help! Your comment is very useful to me. Now, I have installed PSI4 successfully.

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