[Columbus] Facing issues while running molcas-columbus interface

[Felix Plasser]

Hi Kalpa,

This error message means that the columbus-molcas interface is not working. To see which parts are working properly, run

$COLUMBUS/runtests STANDARD

$COLUMBUS/runtests MOLCAS

and eventually

$COLUMBUS/runtests PARALLEL

-Felix

On 10/08/2023 14:06, Kalpa Dihingia via Columbus wrote:

**

Dear Columbus developers, I have recently installed the columbus-molcas interface (standard version) with the help of the Columbus team, though we are still trying to install the parallel version at the same time. Meanwhile I am trying to run
Dear Columbus developers,

I have recently installed the columbus-molcas interface (standard version) with the help of the Columbus team, though we are still trying to install the parallel version at the same time.

Meanwhile I am trying to run a simple calculations from the tutorial tutorial-SO.pdf<https://urldefense.com/v3/__https://columbus-program-system.gitlab.io/columbus/tutorial-SO.pdf__;!!KGKeukY!yrvyqYTqV1sVfQHQpDI6TcioE3fD5AmzYXX25vEj4QaphZfydPLy7C2MLzJ3SnhhOSoe9d8PRXqAzuLzX1oaLtfom4tT$> and getting some errors as follow:

[kalpa at compute so2]$ $COLUMBUS/runc -m 5000 > runls &
[1] 84789
[kalpa at compute so2]$ Error occurred in exptvl.x  errno=256

[kalpa at compute so2]$ cat runc.error
end of cidrt
end of scfpq
 bummer (fatal):dummy link_it should never be called0
bummer
[kalpa at compute so2]$


Can anyone please let me know what could be the source of this issue. How can I overcome this error?

The directory of the entire calculations is attached with this mail.<https://urldefense.com/v3/__https://drive.google.com/drive/folders/1pzgAYsA_HN2fGZLolTCL1VYqAl0z1EP7?usp=drive_link__;!!KGKeukY!yrvyqYTqV1sVfQHQpDI6TcioE3fD5AmzYXX25vEj4QaphZfydPLy7C2MLzJ3SnhhOSoe9d8PRXqAzuLzX1oaLjk9jnTV$>



Thank you !

Kalpajyoti Dihingia
Research Scholar,
Department of Chemistry,
Institute of Science,
Banaras Hindu University, Varanasi-221005
Phone no: 7576867088, 9707836598

[https://urldefense.com/v3/__https://ci3.googleusercontent.com/mail-sig/AIorK4wmJojwZSEvltXP7H1i_h0YEv6U0Fbyjua75Q3ZEsFhfEHsIE5V7ias_icyETQFdCCNi1p0D1M__;!!KGKeukY!wUFKx-jBkL5Zm3mySuKin2la9Kqeqw7Xh_NmE67ze-KIROCzMaK59OulKoBoDcdAc-jdO5IDP0u9bDT8mxH6jw8ygJU$ ]








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