You are here

Compilation

please help in compliation Rosetta on Ubuntu 20.04, extras=hdf5!

Category: 
Compilation

hello,everyone! I ran into a problem when I complied rosetta with option "extras=hdf5". I have installed hdf5 in /usr/local/hdf5,  and I have add it to environmental variables.

command line: ./scons.py -j16 bin mode=release extras=hdf5

results:

Post Situation: 

Error in compiling rosetta.source.release-296 and 314, with MPI 4.1.3 and gcc 8.3.1

Category: 
Compilation

Hi all, 

I'm trying to build Rosetta (rosetta.source.release-296 and 314) in CentOS 7 in Virtual Machine (VM) with MPI 4.1.3 and gcc 8.3.1. This is the first time that I try to compile Rosetta in a VM.

The command line is as below:

./scons.py mode=release bin extras=mpi

After several minutes, I have the following error message:

Post Situation: 

abinitio demo is not progressing - new install

Category: 
Compilation

Hey, I am a relatively new user and my University recently got an academic license and installed Rosetta on our high performance computing for my PhD in de novo design after requesting. I am trying to run the abinitio demo contained within "/rosetta/3.13/gcc-9.3.0+openmpi-4.0.4/rosetta_src_2021.16.61629_bundle/main/demos/public/abinitio" but I am running into a strange error.

Post Situation: 

Building v3.13 rosetta.source.release-296 + MPI error

Category: 
Compilation

Hi all,

I'm trying to build Rosetta version 3.13 (rosetta.source.release-296) in a CentOS cluster with MPI. I have already installed version 3.7, 3.10 and 3.12 in the same machine. I'm using the very same options as used in older compiled versions (file site.settings indicating where are de mpicc and mpicxx compilers/libraries).

The command line is as below:

./scons.py mode=release bin extras=mpi 

After several minutes, I have the following error message:

Post Situation: 

Mpirun launches processess but does not run

Category: 
Compilation

Dear Rosetta Community,

I have been frequently and successfully using the mpi installed version of rosetta_scripts on my institute high performance computing cluster for the past couple of years. However, I have been running into parallelisation issues of late. The command I use to submit jobs on our cluster using PBS is as follows:

Post Situation: 

Help on building a PC to run rosetta

Category: 
Compilation

Dear all,

I'm currently in conversation with my PI to get a PC mainly for protein modeling and MD simulations.

One of the software for protein modeling I want to use is rosetta, but unfortunately, I don't know what component I should focus on. RAM/CPU/GPU? all three of them?

I hope someone can help me.

Thanks in advance.

Best regards,

Carlos

 

ps- I don't have a specific budget yet, so feel free to suggest to me the best configuration you can think of.

Post Situation: 

Pages

Subscribe to RSS - Compilation