For Ubuntu 20.04 I can only install from CUDA 11.x onwards, But Amber asks for up to CUDA 10.2.
I hope these steps will help you:
1) Download the Amber20 source code from the Amber website.
2) Extract the Amber20 source code to a directory of your choice.
3) Navigate to the Amber20 source code directory and run the configure script with the following options:
"./configure -cuda /usr/local/cuda"
4) compile Amber20 by running:
"make -j"
5) you can install Amber20 by running:
"make install", will install Amber20 to the default location /usr/local/amber20
6) you will need to set the environment variables for Amber20. Add the following lines to your .bashrc file:
"
export AMBERHOME=/usr/local/amber20
export PATH=$PATH:$AMBERHOME/bin
Remember to source the .bashrc file or open a new terminal to apply the changes.
That's it! You should now have Amber20 with CUDA installed on your Ubuntu 20.04 system.
I have face this problem anyone help me how to solve this issue ?which is below Fatal error: There are inconsistent shifts over periodic boundaries in a molecule type consisting of 78 atoms. The...
07 August 2024 2,598 1 View
Hi all, I was just wondering if anyone has experience with multiplexing a mouse monoclonal primary and a rat primary. I'm trying to multiplex by incubating them in the same well but was told by a...
06 August 2024 9,710 1 View
Please inform me about the International Conference on Plant Molecular Biology, or Plant Biology, scheduled for December 2024, January/February, or March 2025.
14 July 2024 3,120 7 View
need to know protocol for photoplate creation, styles, etc
11 July 2024 8,321 2 View
How can anyone develop a theoretical framework that successfully unifies general relativity and quantum mechanics? how this new theory should accurately describe gravitational interactions at...
10 July 2024 5,040 8 View
I am able to submit the code documents. Although my graph is 1, I would like to be in the 6E-05 graph range. Please, someone correct the error.
08 July 2024 5,770 0 View
I have tried to optimize the serum free dmem which is the best but i am afraid the secretory profile has too much variations.
03 July 2024 4,044 3 View
Please help me with one or more of the following, if possible: How does a client mentally process the trauma? What are the cognitive domains of processing? What measures are available to assess...
02 July 2024 6,263 0 View
I am trying to eliminate infection from my plates and therefore, gave UV treatment after addition of amino acid (used for better growth). Can you please suggest if UV destroys amino acids or not,...
02 July 2024 2,922 1 View
According to various research, soybean is not considered a pulse because of its high fat content.
30 June 2024 6,311 0 View
Cuáles fueron las tendencias en investigaciones en arquitectura, urbanismo y patrimonio edificado en decadas del 2000 al 2020? Porque requiero conocer tesis de posgrado nivel maestría...
24 July 2024 5,494 1 View
Hello, I'm trying to create parameter and coordinate files for a drug (PRG-A01) found on the following page: http://www.probechem.com/products_PRG-A01.html I used the guide made by Michael...
17 July 2024 3,472 3 View
I have been able to assign the CHARMM forcefield to my ligand i.e. acetyl coenzyme A but not the amber forcefield. I want to run amber forcefield and the parameterization of ligand is failing. I...
15 July 2024 7,323 1 View
I came across the Green Building and Sustainable Architecture collection under Nature Scientific Reports some weeks ago. https://www.nature.com/collections/gajghaebce The special issue/collection...
10 July 2024 5,533 1 View
Have we ever used LSTM architectures on Time-Series Forecasting and Analysis, and gotten a decent result ?
30 June 2024 6,924 3 View
Has fine-tuning techniques like LORA and QLORA ever been applied to pre-trained CNN architectures for any application ?
25 June 2024 7,332 2 View
Which architecture requires more data to train between CNN and Vision Transformer based models ?
25 June 2024 7,599 0 View
Unfortunately, I found my name as a senior author of research entitled "Multifunctional prosthetic polyester based hybrid mesh for repairing of abdominal wall hernias and defects" published in...
23 June 2024 7,798 0 View
Según el Ministerio de Tecnología e Innovación Colombiano, los entonos estrategicos en los que deben trabajar los gobiernos para adoptar una posición eficiente frente a la Inteligencia artificial,...
23 June 2024 9,844 1 View
Computer Science Department
19 June 2024 8,292 2 View