[Chimera-users] Support for Chimera1.13.1

[Greg Couch]

We don't recommend specific hardware configurations.   But we can give 
some guidelines.  Think about the size of the models you want to 
investigate.  The larger the models, the more memory you'll need, both 
for the CPU and for the GPU.  A fast CPU is also helpful.  And you 
should also consider what kind of storage to get.

Since you want to run Amber, a CPU with lots of cores would be good.  
But, for the same money, a CPU with fewer cores is usually faster, and 
Chimera benefits from a faster CPU.  You could always get two 
workstations :-)

For GPUs, get a high-end consumer GPU.  See 
http://plato.cgl.ucsf.edu/trac/chimera/wiki/benchmarks relative 
performance of various GPUs.  The exception is if you are going to view 
the graphics in 3D stereo -- in that case, you'll need a workstation 
graphics card, like the AMD Fire/Radeon Pro or a nVidia Quadro (stay 
away from the entry level versions), and a stereo projector -- it's 
easier to build a VR setup with a high-end consumer GPU and use 
ChimeraX.  See https://vr.ucsf.edu/ for information about VR.

For storage, NVMe m.2 drives are the fastest.  So if you can afford it, 
get it.  Otherwise get a SSD drive.  Make sure your scratch space is on 
the NVMe or SSD.  You should add a regular SATA disk drive for keeping 
results.  SATA drives are much larger and cheaper.  Chimera benefits 
when starting up from the NVMe/SSD, but not much while it is running.  I 
expect the same would be true for PyMol.  But the other software on your 
list would benefit a lot from faster storage.

     Good luck, and please submit benchmark results from what you do get,

     Greg

On 11/11/19 3:35 AM, Mr wrote:
> HI Developer
>
> I am about to purchase and use the software of Chimera1.13.1 . I need 
> to configure a workstation for processing. I have a long-term plan. Do 
> you have a recommended computer hardware configuration here?
>
> I will also use the following program in this workstation:
> Software: Discovery studio (version 2.5); MOE (version 2015); PyMOL 
> (version 2.3); Amber (version 14); Schrodinger (version 2018-4x64); 
> RStudio (3.5), etc.;
> Database: Microarry; TCGA; NCBI; RNA-seq; RCSB PDB; NONCODE, etc.;
>
> Which operating system can run these software perfectly and let them 
> not conflict with your company's software.
>
> Sorry to ask so many questions, I hope you can reply to me.
>
> Thank you!
>
>
>
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