Comments (2)
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/userMore 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., inpsi4/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:
Reply to this email directly or view it on GitHubhttps://github.com//issues/56
.
from psi4.
Many thanks for your help! Your comment is very useful to me. Now, I have installed PSI4 successfully.
from psi4.
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