Re: [AMBER] Trouble compiling cuda, need help.

From: Ross Walker <ross.rosswalker.co.uk>
Date: Wed, 30 May 2012 11:59:20 -0700

Hi Jonathan,

This might not be of much help to you but my advice is to stay well clear of
Ubuntu. I have nothing but pain and anguish with it. I would suggest using
something more stable and less hemorrhaging edge such as Redhat EL6 (Or the
CentOS free version). I can promise you that this will work without all the
pain that Ubuntu causes.

With regards to what Dave is suggesting...

PMEMD_CU_LIBS=-L$(CUDA_HOME)/lib64 -L$(CUDA_HOME)/lib -lcurand -lcufft
-lcudart ./cuda/cuda.a

Becomes:

PMEMD_CU_LIBS=./cuda/cuda.a -L$(CUDA_HOME)/lib64 -L$(CUDA_HOME)/lib -lcurand
-lcufft
-lcudart

Nothing else in the config.h file changes.

See if that helps.

All the best
Ross

> -----Original Message-----
> From: Jonathan Gough [mailto:jonathan.d.gough.gmail.com]
> Sent: Wednesday, May 30, 2012 11:44 AM
> To: AMBER Mailing List
> Subject: Re: [AMBER] Trouble compiling cuda, need help.
>
> In case this helps, here is a thumbnail sketch of what I have done.
>
> I am trying to build a system to do md calculations. I picked up a
> tesla
> (1060) card and decided to install it in a vanilla machine and (i7-
> 870)12
> GB RAM. I ran into challenging issues.
>
>
> 1 - accidentally install the 32-bit system instead of the 64bit
>
> 2 - Clean install of 64-bit system. before installing the nvidia
> drivers
> and packages necessary for amber i auto-updated. This automatically
> installed some nvidia drivers of a previous version (295.40). when i
> installed the developers drivers (295.41). there was a version conflict
> and
> I lost all x-terminal access (GUI) after a few hours of trying to
> resuscitate I gave up.
>
> 3 - So I did another clean 64-bit install. started with the necessary
> amber packages and the did the nvidia stuff.
>
> I found that using make -k was really helpful in terms of getting the
> sdk
> to install the trouble shooting app that amber guru's ask that you have
> installed (deviceQuery).
>
>
>
> I successfully Finished serial and parallel installation and tests. No
> problems.
>
>
> cuda install - as I posted before. No good.
>
>
> I finally decided to update the packages on the system since I seemed
> to
> have hit a wall. updates via the package manager, crushed my system.
> nvidia cards war no longer found. i installed synaptic package manager
> and
> searched for nvidia. I found what looked to be the most recent dev
> version
> and installed it. that rescued the display and the cards were once
> again
> recognized.
>
> - this updated the driver version to 295.49.
>
>
> cuda install again failed at the same place.
>
> I tried david case's suggestion but. no dice.
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber


_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Wed May 30 2012 - 12:00:03 PDT
Custom Search