QuantumATK > Installation and License Questions

U-2022.12-SP1 installation problem

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Dongzhe:
Dear QATK developers,
 
I hold a license through the Europractice program. Recently I installed the newest version of QATK, but I cannot run "atkpython", I always get the following message without errors (see below).

In contrast, I can use the graphical interface using "quantumatk", meaning nothing related to the license issue.

Any comments?

Thanks in advance,

Dongzhe
CNRS in Toulouse, France

+------------------------------------------------------------------------------+
|                                                                              |
|                                  QuantumATK®                                 |
|                                                                              |
|        Version: U-2022.12-SP1 for Windows and Linux [Build da6f78d527]       |
|                                                                              |
|                      Copyright © 2004-2023 Synopsys, Inc.                    |
|                                                                              |
|       This software and all associated documentation are proprietary to      |
|         Synopsys, Inc. This software may only be used pursuant to the        |
|       terms and conditions of a written license agreement with Synopsys,     |
|       Inc. All other use, reproduction, modification, or distribution of     |
|                     this software is strictly prohibited.                    |
|                                                                              |
+------------------------------------------------------------------------------+

Timing:                          Total     Per Step        %

--------------------------------------------------------------------------------

Loading Modules + MPI   :      10.14 s      10.14 s      99.99% |=============|
--------------------------------------------------------------------------------
Total                   :      10.14 s

Anders Blom:
Windows or Linux?

Dongzhe:
It was installed in a cluster (linux).
Best regards,
Dongzhe

Anders Blom:
It might be a competing MPI library that gets picked up, can you check if any variables related to MPI or MKL are set in your environment? Specifically MPIBIN or MPILIB, or any reference to Intel Parallel Studio, or similar?

Dongzhe:
Dear,
I have set the same environment (intelmpi/18.2) for older versions of ATK.
I only have problems with U-2022.12-SP1.
Best regards,
Dongzhe

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