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This command fails:
$ cd samples/cc24 && psi4 test.in Traceback (most recent call last): File "/usr/local/bin/psi4", line 338, in <module> exec(content) File "<string>", line 31, in <module> File "/usr/local/lib/psi4/driver/driver.py", line 613, in gradient plan.compute() File "/usr/local/lib/psi4/driver/driver_findif.py", line 1306, in compute t.compute(client=client) File "/usr/local/lib/psi4/driver/task_base.py", line 166, in compute self.result = qcng.compute( File "/usr/local/lib/python3.9/site-packages/qcengine/compute.py", line 105, in compute output_data = executor.compute(input_data, config) File "/usr/local/lib/python3.9/site-packages/qcengine/programs/psi4.py", line 121, in compute pversion = parse_version(self.get_version()) File "/usr/local/lib/python3.9/site-packages/qcengine/programs/psi4.py", line 90, in get_version exc["proc"].wait(timeout=30) File "/usr/local/lib/python3.9/subprocess.py", line 1189, in wait return self._wait(timeout=timeout) File "/usr/local/lib/python3.9/subprocess.py", line 1909, in _wait raise TimeoutExpired(self.args, timeout) subprocess.TimeoutExpired: Command '['/usr/local/bin/psi4', '--version']' timed out after 30 seconds Printing out the relevant lines from the Psithon --> Python processed input file: core.IO.set_default_namespace("h2o") core.set_global_option("REFERENCE", "uhf") core.set_global_option("BASIS", "DZ") core.set_global_option("ROOTS_PER_IRREP", [0, 0, 1, 0]) analytic_grad = gradient('eom-ccsd') --> findif_grad = gradient('eom-ccsd', dertype=0) compare_matrices(analytic_grad, findif_grad, 5, "UHF-EOM-CCSD finite-diff. (3-pt.) vs. analytic gradient to 10^-5") core.set_local_option("FINDIF", "POINTS", 5) findif_grad = gradient('eom-ccsd', dertype=0) compare_matrices(analytic_grad, findif_grad, 6, "UHF-EOM-CCSD finite-diff. (5-pt.) vs. analytic gradient to 10^-7") !----------------------------------------------------------------------------! ! ! ! Command '['/usr/local/bin/psi4', '--version']' timed out after 30 seconds ! ! ! !----------------------------------------------------------------------------!
However, this command returns almost immediately:
$ time /usr/local/bin/psi4 --version 1.6.1.20221122 real 0m4.190s user 0m2.994s sys 0m0.225s
The text was updated successfully, but these errors were encountered:
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This command fails:
However, this command returns almost immediately:
The text was updated successfully, but these errors were encountered: