[gmx-users] Install on Windows 10 with AMD GPU
Szilárd Páll
pall.szilard at gmail.com
Thu Jul 18 15:21:51 CEST 2019
On Thu, Jul 11, 2019 at 6:33 AM James Burchfield <
james.burchfield at sydney.edu.au> wrote:
> I suspect the issue is that
> 64bit OpenCL is required and 32bit is enabled by default on this card.
> Apparently I can somewhere set GPU_FORCE_64BIT_PTR=1
> But no idea how to do this yet...
>
GPU_FORCE_64BIT_PTR seems to be an environment variable which will only
affect the runtime behavior. However, for that you first need to configure
a GROMACS build and compile successfully. As far as I can tell, you still
get stuck in the first stage as cmake can not detect the required
dependencies.
--
Szilárd
>
> -----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: Tuesday, 9 July 2019 10:46 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
>
> Hi James,
>
> On Mon, Jul 8, 2019 at 10:57 AM James Burchfield <
> james.burchfield at sydney.edu.au> wrote:
>
> > Thankyou Szilárd,
> > Headers are available here
> > https://protect-au.mimecast.com/s/-oPwCNLwM9ixRV85smybKT?domain=github
> > .com
> > 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
> >
>
> That path should not include "CL" (the header is expected to be included
> as CL/cl.h).
>
> Let me know if that helps.
>
> --
> Szilárd
>
>
> > 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
> >
> > Copyright (C) Microsoft Corporation. All rights reserved.
> >
> > 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/5jc5COMxNytXG5jrSv8Hwu?domain=webmail.sydney.edu.au
> > > 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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