Update gaussian.md

docs.it4i/software/chemistry/gaussian.md

@@ -27,20 +27,21 @@ uid=1000(user) gid=1000(user) groups=1000(user),1234(open-0-0),7310(gaussian)
 
 ## Installed Version
 
-Gaussian is available on Karolina, Barbora, and DGX-2 systems in the latest version Gaussian 16 rev. c0 and versions 09-a02, a09-d01.
+The following versions of Gaussian is available on Karolina, Barbora, and DGX-2 systems.
 
-| Module                                | CPU support | GPU support  | Parallelization | Note               | Barbora | DGX-2 | Karolina |
+| Module                               | CPU support | GPU support  | Parallelization | Note                | Barbora | DGX-2 | Karolina |
 |--------------------------------------|-------------|--------------|-----------------|---------------------|---------|-------| -------- |
-| Gaussian/09-a02                      | AVX2        | No           | SMP + Linda     | IT4I compiled       | Yes     | No    | Yes      |
-| Gaussian/09-d01                      | AVX2        | No           | SMP + Linda     | IT4I compiled       | Yes     | No    | Yes      |
+| Gaussian/09-a02                      | AVX2        | No           | SMP + Linda     | IT4I compiled       | Yes     | No    | No       |
+| Gaussian/09-d01                      | AVX2        | No           | SMP + Linda     | IT4I compiled       | Yes     | No    | No       |
 | Gaussian/16_rev_c0-binary            | AVX2        | Yes          | SMP             | Binary distribution | Yes     | Yes   | No       |
 | Gaussian/16_rev_c0-binary-Linda      | AVX2        | Yes          | SMP + Linda     | Binary distribution | Yes     | No    | No       |
 | Gaussian/16_rev_c0-CascadeLake       | AVX-512     | No           | SMP             | IT4I compiled       | Yes     | No    | No       |
 | Gaussian/16_rev_c0-CascadeLake-Linda | AVX-512     | No           | SMP + Linda     | IT4I compiled       | Yes     | No    | No       |
 | Gaussian/16_rev_c0-GPU-Linda         | AVX2        | Yes          | SMP + Linda     | IT4I compiled       | Yes     | No    | No       |
 | Gaussian/16_rev_c0-GPU               | AVX2        | Yes          | SMP             | IT4I compiled       | No      | Yes   | No       |
-| Gaussian/16_rev_c0-Linda             | AVX2        | No           | SMP + Linda     | IT4I compiled       | No      | No    | Yes      |
-| Gaussian/16_rev_c0                   | AVX2        | No           | SMP + Linda     | IT4I compiled       | No      | No    | Yes      |
+| Gaussian/16_rev_c0-Linda             | AVX2        | No           | SMP + Linda     | IT4I compiled       | No      | No    | No       |
+| Gaussian/16_rev_c0                   | AVX2        | No           | SMP + Linda     | IT4I compiled       | No      | No    | No       |
+| Gaussian/16_rev_c2                   | AVX2        | Yes          | SMP + Linda     | IT4I compiled       | No      | No    | Yes      |
 
 Speedup may be observed on Barbora and DGX-2 systems when using the `CascadeLake` and `GPU` modules compared to the `binary` module.
 
@@ -101,7 +102,7 @@ the GAUSS_WDEF environment variable accordingly.
 
 #### Karolina
 
-Karolina is equipped with NVIDIA A100 GPUs and the Ampere architecture requires new CUDA and compiler versions which are not currently supported by Gaussian 16. As a result, GPU-accelerated execution on Karolina is currently **not available**.
+Karolina is equipped with NVIDIA A100 GPUs and the Ampere architecture requires new CUDA and compiler versions which are supported by the module `Gaussian/16_rev_c2`.
 
 #### Barbora
 

[Jan Siwiec]

resolves #101