Hi Daniel,
Thank you for the suggestion. I solved the issue. Now passed all the CUDA serial test.
Regards
Suguna
From: Daniel Roe <daniel.r.roe.gmail.com>
Sent: Monday, February 7, 2022 9:14 AM
To: AMBER Mailing List <amber.ambermd.org>
Subject: Re: [AMBER] Could not import Amber Python modules! Centos 7
Email from external sender: daniel.r.roe.gmail.com<mailto:daniel.r.roe.gmail.com>
Hi,
On Sat, Feb 5, 2022 at 9:00 PM Suguna Sakkiah
<ssakkiah.c4therapeutics.com<mailto:ssakkiah.c4therapeutics.com>> wrote:
>
> Step 4: cd /$AMBERHOME and run ./amber.sh
You need to "source" amber.sh, not run it - otherwise the environment
changes are not permanent. E.g. do:
$> source $AMBERHOME/amber.sh
-Dan
>
> Step 5: change to the $AMBERHOME/test and run ./test_amber_cuda_serial.sh
>
> Then I got the pythonpath error message
>
> Regards
> Suguna
>
>
> From: David A Case <david.case.rutgers.edu<mailto:david.case.rutgers.edu>>
> Sent: Saturday, February 5, 2022 8:13 PM
> To: AMBER Mailing List <amber.ambermd.org<mailto:amber.ambermd.org>>
> Subject: Re: [AMBER] Could not import Amber Python modules! Centos 7
>
> Email from external sender: david.case.rutgers.edu<mailto:david.case.rutgers.edu<mailto:david.case.rutgers.edu%3cmailto:david.case.rutgers.edu>>
>
> On Sat, Feb 05, 2022, Suguna Sakkiah wrote:
> >
> >Below the output of the command: $AMBERHOME/bin/parmed
> >ParmEd: a Parameter file Editor
> >Reading input from STDIN...
>
> OK...looks like things are working. Not sure why you are getting an error
> in running the tests. Just to be sure, can you say exactly what you did
> to obtain the error reported before?
>
> ....thanks...dac
>
>
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org<mailto:AMBER.ambermd.org<mailto:AMBER.ambermd.org%3cmailto:AMBER.ambermd.org>>
> http://lists.ambermd.org/mailman/listinfo/amber
>
> ________________________________
> C4 Therapeutics, Inc. Confidentiality Notice: This message is private and may contain confidential and proprietary information. If you have received this message in error, please notify us and remove it from your system and note that you must not copy, distribute or take any action in reliance on it. Any unauthorized use or disclosure of the contents of this message is not permitted and may be unlawful.
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org<mailto:AMBER.ambermd.org>
> http://lists.ambermd.org/mailman/listinfo/amber
_______________________________________________
AMBER mailing list
AMBER.ambermd.org<mailto:AMBER.ambermd.org>
http://lists.ambermd.org/mailman/listinfo/amber
________________________________
C4 Therapeutics, Inc. Confidentiality Notice: This message is private and may contain confidential and proprietary information. If you have received this message in error, please notify us and remove it from your system and note that you must not copy, distribute or take any action in reliance on it. Any unauthorized use or disclosure of the contents of this message is not permitted and may be unlawful.
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Mon Feb 07 2022 - 15:30:03 PST
