Tutorial - Gaussian installation on Linux CentOS

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  • เผยแพร่เมื่อ 12 พ.ย. 2024

ความคิดเห็น • 31

  • @kGayathri-y6m
    @kGayathri-y6m ปีที่แล้ว

    Hi..can you prepare a tutorial for Gaussview as well?
    If so, Thanks in advance!

  • @MrDanielf13
    @MrDanielf13 2 ปีที่แล้ว

    Hi, how did you create de bash_profile? I have followed you to the step 13, but I don't know how to edit or create the bash_profile

  • @ananyaverma6858
    @ananyaverma6858 3 ปีที่แล้ว +2

    can you do the same for windows 10?

  • @akileshmurali3848
    @akileshmurali3848 3 ปีที่แล้ว +1

    Can you please help me with how to install gaussian 09 on ubuntu version 20.04lts. I was struggling a lot please help me.

  • @harishabibi8991
    @harishabibi8991 3 ปีที่แล้ว

    Can you please tell me how to calculate optical properties of 2D materials using Gaussian

  • @narendrakumarravivaradhara1174
    @narendrakumarravivaradhara1174 4 ปีที่แล้ว +2

    Hi could you kindly add another video of Gaussian installation for Ubuntu. Thanks

    • @avonfonds2567
      @avonfonds2567 4 ปีที่แล้ว

      That will help me too

    • @prathvisingh8288
      @prathvisingh8288 3 ปีที่แล้ว +3

      Here are the steps (you will need root access for the installation):
      1. Create a folder called "gaussian" on the desktop & create three folders inside it namely: input, output, scratch
      2. Extract the gaussian tar file inside the gaussian folder created above using the command: tar -zxvf
      3. Run the terminal & enter the following commands:
      sudo -i
      groupadd gaussian
      usermod
      chown :gaussian -R /home//Desktop/gaussian
      chmod -R 770 /home//Desktop/gaussian
      ls -ld /home//Desktop/gaussian
      ls -l /home//Desktop/gaussian
      cd /home//Desktop/gaussian/g16/bsd
      apt install
      exit
      nano .bashrc
      #in the opened file, copy the following:
      export g16root=/home//Desktop/gaussian
      . $g16root/g16/bsd/g16.profile
      export GAUSS_SCRDIR=/home//Desktop/gaussian/scratch
      CTRL+O
      ENTER
      CTRL+X
      source .bashrc
      INSTALLATION COMPLETE
      Now you can run a gaussian job using the terminal by running the following command: g16

    • @boobalanmariasusai3602
      @boobalanmariasusai3602 3 ปีที่แล้ว +1

      @@prathvisingh8288 Thanks a lot my brother....

    • @imeneyeddou6596
      @imeneyeddou6596 2 ปีที่แล้ว

      @@prathvisingh8288 is it same for Fedora linux?

    • @prathvisingh8288
      @prathvisingh8288 2 ปีที่แล้ว

      @@imeneyeddou6596 I have tested these steps only on Ubuntu so I cannot say for Fedora.

  • @phimiuniu
    @phimiuniu 3 ปีที่แล้ว

    How long does it normally need to enter the Gaussian system? Mine has been running for about 30 mins and nothing happens. Thank you.

    • @prathvisingh8288
      @prathvisingh8288 3 ปีที่แล้ว +1

      Here are the steps for ubuntu installation (you will need root access for the installation):
      1. Create a folder called "gaussian" on the desktop & create three folders inside it namely: input, output, scratch
      2. Extract the gaussian tar file inside the gaussian folder created above using the command: tar -zxvf
      3. Run the terminal & enter the following commands:
      sudo -i
      groupadd gaussian
      usermod
      chown :gaussian -R /home//Desktop/gaussian
      chmod -R 770 /home//Desktop/gaussian
      ls -ld /home//Desktop/gaussian
      ls -l /home//Desktop/gaussian
      cd /home//Desktop/gaussian/g16/bsd
      apt install
      exit
      nano .bashrc
      #in the opened file, copy the following:
      export g16root=/home//Desktop/gaussian
      . $g16root/g16/bsd/g16.profile
      export GAUSS_SCRDIR=/home//Desktop/gaussian/scratch
      CTRL+O
      ENTER
      CTRL+X
      source .bashrc
      INSTALLATION COMPLETE
      Now you can run a gaussian job using the terminal by running the following command: g16

  • @debanjansen1282
    @debanjansen1282 3 ปีที่แล้ว +1

    Need for ubuntu/Linux mint
    Yah...working.... but secondary hdd not opening directly asking root password ..

    • @prathvisingh8288
      @prathvisingh8288 3 ปีที่แล้ว +2

      Here are the steps (you will need root access for the installation):
      1. Create a folder called "gaussian" on the desktop & create three folders inside it namely: input, output, scratch
      2. Extract the gaussian tar file inside the gaussian folder created above using the command: tar -zxvf
      3. Run the terminal & enter the following commands:
      sudo -i
      groupadd gaussian
      usermod
      chown :gaussian -R /home//Desktop/gaussian
      chmod -R 770 /home//Desktop/gaussian
      ls -ld /home//Desktop/gaussian
      ls -l /home//Desktop/gaussian
      cd /home//Desktop/gaussian/g16/bsd
      apt install
      exit
      nano .bashrc
      #in the opened file, copy the following:
      export g16root=/home//Desktop/gaussian
      . $g16root/g16/bsd/g16.profile
      export GAUSS_SCRDIR=/home//Desktop/gaussian/scratch
      CTRL+O
      ENTER
      CTRL+X
      source .bashrc
      INSTALLATION COMPLETE
      Now you can run a gaussian job using the terminal by running the following command: g16

    • @debanjansen1282
      @debanjansen1282 3 ปีที่แล้ว +1

      @@prathvisingh8288 sir, I followed your process. But how to install gausview? I have g09 and gv16. I extracted them in /home/kimlab/gaussian/g09 and gv16.
      After mentiond command I entered in g09/bsd and issued apt install
      After exit
      Issued gedit ~/.basrc and export the path.insted of g16 I used g09
      After sourcing return error
      Permission denied
      And after entering gv
      Return gv no command found

    • @prathvisingh8288
      @prathvisingh8288 3 ปีที่แล้ว +1

      @@debanjansen1282 Here are the steps to install gaussview:
      1. Extract the gaussview tar file in home directory.
      2. Run the terminal & enter the following commands:
      echo 'export PATH=$PATH:~/gv/exec'
      source ~/.bashrc
      3. To run gaussview, run the command: gview

    • @sankawijewardane4002
      @sankawijewardane4002 3 ปีที่แล้ว +1

      @@prathvisingh8288 This works for me. Thank you very much for saving my time

  • @mariusboubaousmanou8321
    @mariusboubaousmanou8321 3 ปีที่แล้ว

    Please Can i get g16 ? I need it for my pc thanks

    • @BasicTech4u
      @BasicTech4u 3 ปีที่แล้ว

      Yes, I have G16

    • @oyeniyigbenga5206
      @oyeniyigbenga5206 2 ปีที่แล้ว

      @@BasicTech4u please can i get g16. thank you

  • @saradprasad
    @saradprasad 3 ปีที่แล้ว

    please do it in ubuntu

    • @prathvisingh8288
      @prathvisingh8288 3 ปีที่แล้ว

      Here are the steps (you will need root access for the installation):
      1. Create a folder called "gaussian" on the desktop & create three folders inside it namely: input, output, scratch
      2. Extract the gaussian tar file inside the gaussian folder created above using the command: tar -zxvf
      3. Run the terminal & enter the following commands:
      sudo -i
      groupadd gaussian
      usermod
      chown :gaussian -R /home//Desktop/gaussian
      chmod -R 770 /home//Desktop/gaussian
      ls -ld /home//Desktop/gaussian
      ls -l /home//Desktop/gaussian
      cd /home//Desktop/gaussian/g16/bsd
      apt install
      exit
      nano .bashrc
      #in the opened file, copy the following:
      export g16root=/home//Desktop/gaussian
      . $g16root/g16/bsd/g16.profile
      export GAUSS_SCRDIR=/home//Desktop/gaussian/scratch
      CTRL+O
      ENTER
      CTRL+X
      source .bashrc
      INSTALLATION COMPLETE
      Now you can run a gaussian job using the terminal by running the following command: g16

    • @youresospecial7359
      @youresospecial7359 3 ปีที่แล้ว

      @@prathvisingh8288 can u help me? i can´t build gaussian 09 from source :(

  • @derrickmbigah4
    @derrickmbigah4 3 ปีที่แล้ว +1

    please do it in ubuntu

  • @derrickmbigah4
    @derrickmbigah4 3 ปีที่แล้ว

    please do it in ubuntu

    • @prathvisingh8288
      @prathvisingh8288 3 ปีที่แล้ว

      Here are the steps (you will need root access for the installation):
      1. Create a folder called "gaussian" on the desktop & create three folders inside it namely: input, output, scratch
      2. Extract the gaussian tar file inside the gaussian folder created above using the command: tar -zxvf
      3. Run the terminal & enter the following commands:
      sudo -i
      groupadd gaussian
      usermod
      chown :gaussian -R /home//Desktop/gaussian
      chmod -R 770 /home//Desktop/gaussian
      ls -ld /home//Desktop/gaussian
      ls -l /home//Desktop/gaussian
      cd /home//Desktop/gaussian/g16/bsd
      apt install
      exit
      nano .bashrc
      #in the opened file, copy the following:
      export g16root=/home//Desktop/gaussian
      . $g16root/g16/bsd/g16.profile
      export GAUSS_SCRDIR=/home//Desktop/gaussian/scratch
      CTRL+O
      ENTER
      CTRL+X
      source .bashrc
      INSTALLATION COMPLETE
      Now you can run a gaussian job using the terminal by running the following command: g16