[gmx-users] Install on Windows 10 with AMD GPU

Mon Jul 8 10:57:22 CEST 2019

Thankyou Szilárd,
Headers are available here https://github.com/KhronosGroup/OpenCL-Headers
But I get
CMake Error at cmake/gmxManageOpenCL.cmake:45 (message):
  OpenCL is not supported.  OpenCL version 1.2 or newer is required.
Call Stack (most recent call first):
  CMakeLists.txt:236 (include)

I am setting 
OpenCL_include_DIR to C:/Users/Admin/ OpenCL-Headers-master/CL
OpenCL_INCLUDE_DIR OpenCL_Library to C:/Windows/System32/OpenCL.dll

The error file includes 
  Microsoft (R) C/C++ Optimizing Compiler Version 19.21.27702.2 for x64

  CheckSymbolExists.c

  cl /c /Zi /W3 /WX- /diagnostics:column /Od /Ob0 /D WIN32 /D _WINDOWS /D "CMAKE_INTDIR=\"Debug\"" /D _MBCS /Gm- /RTC1 /MDd /GS /fp:precise /Zc:wchar_t /Zc:forScope /Zc:inline /Fo"cmTC_2c430.dir\Debug\\" /Fd"cmTC_2c430.dir\Debug\vc142.pdb" /Gd /TC /errorReport:queue "C:\Program Files\gromacs\CMakeFiles\CMakeTmp\CheckSymbolExists.c"

C:\Program Files\gromacs\CMakeFiles\CMakeTmp\CheckSymbolExists.c(2,10): error C1083:  Cannot open include file: 'OpenCL_INCLUDE_DIR-NOTFOUND/CL/cl.h': No such file or directory [C:\Program Files\gromacs\CMakeFiles\CMakeTmp\cmTC_2c430.vcxproj]

File C:/Program Files/gromacs/CMakeFiles/CMakeTmp/CheckSymbolExists.c:
/* */
#include <OpenCL_INCLUDE_DIR-NOTFOUND/CL/cl.h>

int main(int argc, char** argv)
{
  (void)argv;
#ifndef CL_VERSION_1_0
  return ((int*)(&CL_VERSION_1_0))[argc];
#else
  (void)argc;
  return 0;
#endif
}

Guessing it is time to give up

Cheers
James

-----Original Message-----
From: gromacs.org_gmx-users-bounces at maillist.sys.kth.se <gromacs.org_gmx-users-bounces at maillist.sys.kth.se> On Behalf Of Szilárd Páll
Sent: Friday, 5 July 2019 10:20 PM
To: Discussion list for GROMACS users <gmx-users at gromacs.org>
Cc: gromacs.org_gmx-users at maillist.sys.kth.se
Subject: Re: [gmx-users] Install on Windows 10 with AMD GPU

Dear James,

Unfortunately, we have very little experience with OpenCL on Windows, so I am afraid I can not advise you on specifics. However, note that the only part of the former SDK that is needed is the OpenCL headers and loader libraries (libOpenCL) which is open source software that can be obtained from the standards body, KHronos. Not sure what the mechanism is for Windows, but for Linux these components are in packaged in the standard repositories of most distributions.

However, before going through a large effort of trying to get GROMACS running on Windows + AMD + OpenCL, you might want to consider evaluating the potential benefits of the hardware. As these cards are quite dated you might find that they do not provide enough performance benefit to warrant the effort required -- especially as, if you have a workstation with significant CPU resources, you might find that GROMACS runs nearly as fast or faster on the CPU only (that's because we have very efficient CPU SIMD code for all compute-intensive work).

To do a hopefully easier quick performance evaluation, you could simply boot a Linux distribution off of an external disk, you can find Linux drivers for them for Ubuntu 16.04/18.04 at least which you can install and see how well does the system perform.

I hope that helps!

Cheers,
--
Szilárd

On Fri, Jul 5, 2019 at 9:11 AM James Burchfield < james.burchfield at sydney.edu.au> wrote:

> Hi there,
>
> I was hoping to install  gromacs on a windows10 system that runs 2 AMD 
> Firepro cards.
> I have managed to achieve almost everything in terms of setting up the 
> compilation with the exception of OpenCl.
>
> The issue I have run into are in reference to the settings of
>
> CMAKE_PREFIX_PATH  (unsure if I need to put anything here) 
> OpenCL_INCLUDE_DIR OpenCL_Library
>
> The cards I am running are~ 5years old Firepro W7100 OpenCL version 
> they are running is 2.0
>
>
> AMD no longer makes the OpenCL SDK
> Apparrently, most of the relevant stuff is now included with the 
> drivers and headers can be  downloaded from GitHub
>
> I have tried
>
>   *   Installing the old SDK
>   *   Installing the newer "light" version of the SDK
>   *   Downloading the headers
>
> Whatever the case
> I cannot get it to work .
> I get an error saying that the minimum requirement is openCl 1.2.
> According to the AMD driver the cards are running opencl 2.0
>
> Any help would be appreciated
>
> Cheers,
> James
>
>
> ________________________________
> Dr James Burchfield
> Group Leader - Molecular Imaging
> Metabolic Cybernetics Laboratory | School of Life and Environmental 
> Sciences
> D17 - Charles Perkins Centre | The University of Sydney | NSW | 2006
> email: james.burchfield at sydney.edu.au< 
> https://protect-au.mimecast.com/s/gzn3CGvmB5ilERGxIKvKhT?domain=webmai
> l.sydney.edu.au
> >
> phone: +61 (0) 403 977 448
> web: 
> http://sydney.edu.au/perkins/research/groups/david-james-lab.shtml
> ________________________________
>
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