PSIO error in "make tests"

[zxinfish]

Dear all,

 I tried to install the latest PSI4 on my PC, whose operating system is Fedora 14. I have passed the steps "./configure --with-opt=-O2" and "make" successfully according to PSI4's manual. However, I met a trouble in "make tests".  One of the error report is pasted below:

---

echo "Testing omp2_5-grad1..."
Testing omp2_5-grad1...
make -C omp2_5-grad1; true
make[2]: Entering directory `/usr/local/src/psi4/objdir/tests/omp2_5-grad1'
PSIO_ERROR: unit = 32, errval = 5
PSIO_ERROR: 5 (file not open or open call failed)
Traceback (most recent call last):
File "", line 38, in
File "/usr/local/src/psi4/lib/python/driver.py", line 671, in gradient
procedures['gradient'][lowername](lowername, **kwargs)
File "/usr/local/src/psi4/lib/python/proc.py", line 459, in run_omp2_5_gradient
run_omp2_5(name, *_kwargs)
File "/usr/local/src/psi4/lib/python/proc.py", line 440, in run_omp2_5
scf_helper(name, *_kwargs)
File "/usr/local/src/psi4/lib/python/proc.py", line 757, in scf_helper
e_scf = psi4.scf(precallback, postcallback)
RuntimeError: PSIO Error
file: /usr/local/src/psi4/src/lib/libpsio/error.cc
line: 116P
make[2]: *** [omp2_5-grad1.passed] Error 1

make[2]: Leaving directory `/usr/local/src/psi4/objdir/tests/omp2_5-grad1'

There are also many other error report which are similar to this.

I am wondering what cause these errors and how can I fix them. Can you help me to install PSI4 successfully?

Looking forward to any comments and suggestions! Many thanks!

Best Regards
Xin

[robparrish]

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 notifications@github.com wrote:

Reopened #56 #56.

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

[zxinfish]

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