Thanks.!!!! I am definitely not very computer literate but based on my internet search that is what I thought.
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From: Joanna Michelle E. Chua <jmechua.pnri.dost.gov.ph>
Sent: Tuesday, December 17, 2019 9:01:26 PM
To: AMBER Mailing List <amber.ambermd.org>
Subject: Re: [AMBER] installing Amber 18 issues
To clarify things, bash does not understand setenv, only export. Based on the error that you generate, i seems that you are using bash, so export is already enough.
But based on my experience with installing Amber in Ubuntu 18.04 LTS, when you close the shell terminal it deletes the AMBERHOME environment. To make it permanent, you have to use the following script:
>> export AMBERHOME=$AMBERHOME/home/usr/<specify the rest of the path where you installed Amber>
>> echo 'export AMBERHOME=$AMBERHOME/home/usr/<specify the path where you installed Amber>' >> ~/.bashrc if you want to make the environment root or ~/.profile if you only want it to be user-specific.
I used to the same code in my Ubuntu and it works perfectly fine (already finished the make test for both serial and parallel GPU computing). Good luck!
Joanna
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From: Joanna Michelle E. Chua <jmechua.pnri.dost.gov.ph>
Sent: Wednesday, December 18, 2019 10:50:24 AM
To: AMBER Mailing List <amber.ambermd.org>
Subject: Re: installing Amber 18 issues
Hi Billy,
I also just finished installing and configuring Amber 18. You have to check if you are using an OS compatible with either bash or tcsh/csh. You can only use one of them. For me since I use Ubuntu/Debian OS which the default shell is bash, I used the export command. Some Linux distributions like Red Hat or macOS which default shell is csh, then that's the only time you use the setenv.
Hope this helps.
Cheers,
Joanna
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From: Billiot, Eugene <Eugene.Billiot.tamucc.edu>
Sent: Wednesday, December 18, 2019 7:46:00 AM
To: AMBER Mailing List <amber.ambermd.org>
Subject: [AMBER] installing Amber 18 issues
Hello, I emailed a couple questions about installing Amber 18 and issues I am having. Anyway, I decided to delete Amber 18 and start all over. Currently, I am at the step below and when I try to run the second line "source /home/myname/amber18/amber.csh # for csh, tcsh" I get the error below the sourceable script info "bash: setenv: command not found..." Is this an issue and if it is how do I resolve it and if it is not an issue should I simply continue with the installation.
These sourceable scripts will set up your shell environment correctly for Amber:
source /home/myname/amber18/amber.sh # for bash, zsh, ksh, etc.
source /home/myname/amber18/amber.csh # for csh, tcsh
[AmberPc.localhost amber18]$ source /home/clewis/amber18/amber.csh
bash: setenv: command not found...
bash: setenv: command not found...
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Received on Tue Dec 17 2019 - 19:30:02 PST
