Re: [gmx-users] AVX related compiler error during build with P100 RHEL7

2017-11-06 Thread Guyen Gn
Getting back to this thread after a while, is this the name of package?:
rpmdevtools.noarch 8.3-5.el7   Server
Red Hat Enterprise Linux Server release 7.3 (Maipo)

I see it is included in the RH7.3
Thanks.,


On Wed, Aug 2, 2017 at 6:10 PM, Mark Abraham 
wrote:

> Hi,
>
> Usually this means, like it says, that the linker isn't able to do the
> required job. I don't know whether the stock RHEL 7.2 linker can, but I
> imagine that's the issue. Usually using a devtoolset e.g.
> https://www.softwarecollections.org/en/scls/rhscl/devtoolset-4/ is the way
> to get a machine with useful tools on it rather than one with "stable" =
> "old" tools, particularly when you want to use the latest hardware...
>
> Mark
>
> On Thu, Aug 3, 2017 at 1:28 AM Guyen Gn  wrote:
>
> > Any update on this one??
> >
> > On Fri, Jul 14, 2017 at 1:30 PM, Guyen Gn  wrote:
> >
> > > Any ideas on this one? Thanks!
> > >
> > > On Mon, Jul 3, 2017 at 9:33 PM, Guyen Gn  wrote:
> > >
> > >> Still did not work. change xMIC to xCore and log is below (if it was
> > >> other way around, then originally it must have not worked).
> > >> Script file is all oneline.
> > >>
> > >> -- Performing Test C_xCORE_AVX512_FLAG_WORKS
> > >> -- Performing Test C_xCORE_AVX512_FLAG_WORKS - Failed
> > >> -- Performing Test C_mavx512f_mfma_FLAG_WORKS
> > >> -- Performing Test C_mavx512f_mfma_FLAG_WORKS - Failed
> > >> -- Performing Test C_mavx512f_FLAG_WORKS
> > >> -- Performing Test C_mavx512f_FLAG_WORKS - Failed
> > >> -- Performing Test C_arch_AVX_FLAG_WORKS
> > >> -- Performing Test C_arch_AVX_FLAG_WORKS - Failed
> > >> -- Performing Test C_hgnu_FLAG_WORKS
> > >> -- Performing Test C_hgnu_FLAG_WORKS - Failed
> > >> -- Performing Test C_FLAG_WORKS
> > >> -- Performing Test C_FLAG_WORKS - Success
> > >> -- Performing Test C_COMPILE_WORKS
> > >> -- Performing Test C_COMPILE_WORKS - Failed
> > >> -- Compiler flag was valid, but executable did not build - perhaps
> > update
> > >> the binutils package
> > >> -- Performing Test CXX_xCORE_AVX512_FLAG_WORKS
> > >> -- Performing Test CXX_xCORE_AVX512_FLAG_WORKS - Failed
> > >> -- Performing Test CXX_mavx512f_mfma_FLAG_WORKS
> > >> -- Performing Test CXX_mavx512f_mfma_FLAG_WORKS - Failed
> > >> -- Performing Test CXX_mavx512f_FLAG_WORKS
> > >> -- Performing Test CXX_mavx512f_FLAG_WORKS - Failed
> > >> -- Performing Test CXX_arch_AVX_FLAG_WORKS
> > >> -- Performing Test CXX_arch_AVX_FLAG_WORKS - Failed
> > >> -- Performing Test CXX_hgnu_FLAG_WORKS
> > >> -- Performing Test CXX_hgnu_FLAG_WORKS - Failed
> > >> -- Performing Test CXX_FLAG_WORKS
> > >> -- Performing Test CXX_FLAG_WORKS - Success
> > >> -- Performing Test CXX_COMPILE_WORKS
> > >> -- Performing Test CXX_COMPILE_WORKS - Failed
> > >> -- Compiler flag was valid, but executable did not build - perhaps
> > update
> > >> the binutils package
> > >> CMake Error at cmake/gmxManageSimd.cmake:92 (message):
> > >>   Found a compiler flag for AVX 512F support, but some other problem
> > >> exists.
> > >>   Update your assembler and/or linker, e.g.  in the binutils package
> of
> > >> your
> > >>   distribution.
> > >> Call Stack (most recent call first):
> > >>   cmake/gmxManageSimd.cmake:314 (gmx_give_fatal_error_when_sim
> > >> d_support_not_found)
> > >>   CMakeLists.txt:666 (gmx_manage_simd)
> > >>
> > >>
> > >> -- Configuring incomplete, errors occurred!
> > >>
> > >>
> > >> On Mon, Jul 3, 2017 at 2:44 PM, Mark Abraham <
> mark.j.abra...@gmail.com>
> > >> wrote:
> > >>
> > >>> Hi,
> > >>>
> > >>> On Mon, Jul 3, 2017 at 10:50 PM Guyen Gn  wrote:
> > >>>
> > >>> > Sorry for long wait on response, basically i followed the
> instruction
> > >>> at
> > >>> > nvidia website:
> > >>> >
> > >>> > http://www.nvidia.com/object/gromacs-installation.html
> > >>> >
> > >>> > I instaled GPU driver versoin 369, as well as CUDA, gcc, cmake.
> After
> > >>> that
> > >>> > it tells to run following:
> > >>> >
> >

Re: [gmx-users] AVX related compiler error during build with P100 RHEL7

2017-08-02 Thread Guyen Gn
Any update on this one??

On Fri, Jul 14, 2017 at 1:30 PM, Guyen Gn  wrote:

> Any ideas on this one? Thanks!
>
> On Mon, Jul 3, 2017 at 9:33 PM, Guyen Gn  wrote:
>
>> Still did not work. change xMIC to xCore and log is below (if it was
>> other way around, then originally it must have not worked).
>> Script file is all oneline.
>>
>> -- Performing Test C_xCORE_AVX512_FLAG_WORKS
>> -- Performing Test C_xCORE_AVX512_FLAG_WORKS - Failed
>> -- Performing Test C_mavx512f_mfma_FLAG_WORKS
>> -- Performing Test C_mavx512f_mfma_FLAG_WORKS - Failed
>> -- Performing Test C_mavx512f_FLAG_WORKS
>> -- Performing Test C_mavx512f_FLAG_WORKS - Failed
>> -- Performing Test C_arch_AVX_FLAG_WORKS
>> -- Performing Test C_arch_AVX_FLAG_WORKS - Failed
>> -- Performing Test C_hgnu_FLAG_WORKS
>> -- Performing Test C_hgnu_FLAG_WORKS - Failed
>> -- Performing Test C_FLAG_WORKS
>> -- Performing Test C_FLAG_WORKS - Success
>> -- Performing Test C_COMPILE_WORKS
>> -- Performing Test C_COMPILE_WORKS - Failed
>> -- Compiler flag was valid, but executable did not build - perhaps update
>> the binutils package
>> -- Performing Test CXX_xCORE_AVX512_FLAG_WORKS
>> -- Performing Test CXX_xCORE_AVX512_FLAG_WORKS - Failed
>> -- Performing Test CXX_mavx512f_mfma_FLAG_WORKS
>> -- Performing Test CXX_mavx512f_mfma_FLAG_WORKS - Failed
>> -- Performing Test CXX_mavx512f_FLAG_WORKS
>> -- Performing Test CXX_mavx512f_FLAG_WORKS - Failed
>> -- Performing Test CXX_arch_AVX_FLAG_WORKS
>> -- Performing Test CXX_arch_AVX_FLAG_WORKS - Failed
>> -- Performing Test CXX_hgnu_FLAG_WORKS
>> -- Performing Test CXX_hgnu_FLAG_WORKS - Failed
>> -- Performing Test CXX_FLAG_WORKS
>> -- Performing Test CXX_FLAG_WORKS - Success
>> -- Performing Test CXX_COMPILE_WORKS
>> -- Performing Test CXX_COMPILE_WORKS - Failed
>> -- Compiler flag was valid, but executable did not build - perhaps update
>> the binutils package
>> CMake Error at cmake/gmxManageSimd.cmake:92 (message):
>>   Found a compiler flag for AVX 512F support, but some other problem
>> exists.
>>   Update your assembler and/or linker, e.g.  in the binutils package of
>> your
>>   distribution.
>> Call Stack (most recent call first):
>>   cmake/gmxManageSimd.cmake:314 (gmx_give_fatal_error_when_sim
>> d_support_not_found)
>>   CMakeLists.txt:666 (gmx_manage_simd)
>>
>>
>> -- Configuring incomplete, errors occurred!
>>
>>
>> On Mon, Jul 3, 2017 at 2:44 PM, Mark Abraham 
>> wrote:
>>
>>> Hi,
>>>
>>> On Mon, Jul 3, 2017 at 10:50 PM Guyen Gn  wrote:
>>>
>>> > Sorry for long wait on response, basically i followed the instruction
>>> at
>>> > nvidia website:
>>> >
>>> > http://www.nvidia.com/object/gromacs-installation.html
>>> >
>>> > I instaled GPU driver versoin 369, as well as CUDA, gcc, cmake. After
>>> that
>>> > it tells to run following:
>>> >
>>> > CC=gcc CXX=g++ cmake  -DGMX_OPENMP=ON -DGMX_GPU=ON -
>>> > DGPU_DEPLOYMENT_KIT_ROOT_DIR= -DGMX_BUILD_OWN_FFTW=ON -
>>> > DGMX_PREFER_STATIC_LIBS=ON -DCMAKE_BUILD_TYPE=Release -
>>> > DCMAKE_INSTALL_PREFIX=
>>> >
>>> > I tweaked as follows to fit my environment I setup (basically just
>>> > installation source and run directory:
>>> > CC=gcc CXX=g++ cmake /root/gromacs/gromacs-2016 -DGMX_OPENMP=ON
>>> > -DGMX_GPU=ON -DGPU_DEPLOYMENT_KIT_ROOT_DIR=/usr/local/cuda
>>> > -DGMX_BUILD_OWN_FFTW=ON -DGMX_PREFER_STATIC_LIBS=ON
>>> > -DCMAKE_BUILD_TYPE=Release
>>> > -DCMAKE_INSTALL_PREFIX=/root/gromacs/gromacs-2016-run inside build.sh
>>> shell
>>> > script.
>>> >
>>> > This is the full log, I highlighted toward the end section of code
>>> where it
>>> > started to fail. It appears something related to AVX. Thanks.,
>>> >
>>> > [root@localhost gromacs-2016]# ./build.sh
>>> > CMake Error: The source directory "/root/gromacs/gromacs-2016/-" does
>>> not
>>> > exist.
>>> > Specify --help for usage, or press the help button on the CMake GUI.
>>> > ./build.sh: line 2: -DGMX_BUILD_OWN_FFTW=ON: command not found
>>> > ./build.sh: line 3: -DCMAKE_BUILD_TYPE=Release: command not found
>>> >
>>>
>>> All the above is because your script needed editing to handle newlines
>>> from
>>> your copy-paste.
>>>
>>>
>>> > [roo

Re: [gmx-users] AVX related compiler error during build with P100 RHEL7

2017-07-14 Thread Guyen Gn
Any ideas on this one? Thanks!

On Mon, Jul 3, 2017 at 9:33 PM, Guyen Gn  wrote:

> Still did not work. change xMIC to xCore and log is below (if it was other
> way around, then originally it must have not worked).
> Script file is all oneline.
>
> -- Performing Test C_xCORE_AVX512_FLAG_WORKS
> -- Performing Test C_xCORE_AVX512_FLAG_WORKS - Failed
> -- Performing Test C_mavx512f_mfma_FLAG_WORKS
> -- Performing Test C_mavx512f_mfma_FLAG_WORKS - Failed
> -- Performing Test C_mavx512f_FLAG_WORKS
> -- Performing Test C_mavx512f_FLAG_WORKS - Failed
> -- Performing Test C_arch_AVX_FLAG_WORKS
> -- Performing Test C_arch_AVX_FLAG_WORKS - Failed
> -- Performing Test C_hgnu_FLAG_WORKS
> -- Performing Test C_hgnu_FLAG_WORKS - Failed
> -- Performing Test C_FLAG_WORKS
> -- Performing Test C_FLAG_WORKS - Success
> -- Performing Test C_COMPILE_WORKS
> -- Performing Test C_COMPILE_WORKS - Failed
> -- Compiler flag was valid, but executable did not build - perhaps update
> the binutils package
> -- Performing Test CXX_xCORE_AVX512_FLAG_WORKS
> -- Performing Test CXX_xCORE_AVX512_FLAG_WORKS - Failed
> -- Performing Test CXX_mavx512f_mfma_FLAG_WORKS
> -- Performing Test CXX_mavx512f_mfma_FLAG_WORKS - Failed
> -- Performing Test CXX_mavx512f_FLAG_WORKS
> -- Performing Test CXX_mavx512f_FLAG_WORKS - Failed
> -- Performing Test CXX_arch_AVX_FLAG_WORKS
> -- Performing Test CXX_arch_AVX_FLAG_WORKS - Failed
> -- Performing Test CXX_hgnu_FLAG_WORKS
> -- Performing Test CXX_hgnu_FLAG_WORKS - Failed
> -- Performing Test CXX_FLAG_WORKS
> -- Performing Test CXX_FLAG_WORKS - Success
> -- Performing Test CXX_COMPILE_WORKS
> -- Performing Test CXX_COMPILE_WORKS - Failed
> -- Compiler flag was valid, but executable did not build - perhaps update
> the binutils package
> CMake Error at cmake/gmxManageSimd.cmake:92 (message):
>   Found a compiler flag for AVX 512F support, but some other problem
> exists.
>   Update your assembler and/or linker, e.g.  in the binutils package of
> your
>   distribution.
> Call Stack (most recent call first):
>   cmake/gmxManageSimd.cmake:314 (gmx_give_fatal_error_when_
> simd_support_not_found)
>   CMakeLists.txt:666 (gmx_manage_simd)
>
>
> -- Configuring incomplete, errors occurred!
>
>
> On Mon, Jul 3, 2017 at 2:44 PM, Mark Abraham 
> wrote:
>
>> Hi,
>>
>> On Mon, Jul 3, 2017 at 10:50 PM Guyen Gn  wrote:
>>
>> > Sorry for long wait on response, basically i followed the instruction at
>> > nvidia website:
>> >
>> > http://www.nvidia.com/object/gromacs-installation.html
>> >
>> > I instaled GPU driver versoin 369, as well as CUDA, gcc, cmake. After
>> that
>> > it tells to run following:
>> >
>> > CC=gcc CXX=g++ cmake  -DGMX_OPENMP=ON -DGMX_GPU=ON -
>> > DGPU_DEPLOYMENT_KIT_ROOT_DIR= -DGMX_BUILD_OWN_FFTW=ON -
>> > DGMX_PREFER_STATIC_LIBS=ON -DCMAKE_BUILD_TYPE=Release -
>> > DCMAKE_INSTALL_PREFIX=
>> >
>> > I tweaked as follows to fit my environment I setup (basically just
>> > installation source and run directory:
>> > CC=gcc CXX=g++ cmake /root/gromacs/gromacs-2016 -DGMX_OPENMP=ON
>> > -DGMX_GPU=ON -DGPU_DEPLOYMENT_KIT_ROOT_DIR=/usr/local/cuda
>> > -DGMX_BUILD_OWN_FFTW=ON -DGMX_PREFER_STATIC_LIBS=ON
>> > -DCMAKE_BUILD_TYPE=Release
>> > -DCMAKE_INSTALL_PREFIX=/root/gromacs/gromacs-2016-run inside build.sh
>> shell
>> > script.
>> >
>> > This is the full log, I highlighted toward the end section of code
>> where it
>> > started to fail. It appears something related to AVX. Thanks.,
>> >
>> > [root@localhost gromacs-2016]# ./build.sh
>> > CMake Error: The source directory "/root/gromacs/gromacs-2016/-" does
>> not
>> > exist.
>> > Specify --help for usage, or press the help button on the CMake GUI.
>> > ./build.sh: line 2: -DGMX_BUILD_OWN_FFTW=ON: command not found
>> > ./build.sh: line 3: -DCMAKE_BUILD_TYPE=Release: command not found
>> >
>>
>> All the above is because your script needed editing to handle newlines
>> from
>> your copy-paste.
>>
>>
>> > [root@localhost gromacs-2016]# nano -w build.sh
>> > [root@localhost gromacs-2016]# pwd
>> > /root/gromacs/gromacs-2016
>> > [root@localhost gromacs-2016]# mkdir ~/gromacs/gromacs-run
>> > [root@localhost gromacs-2016]# ./build.sh
>> > -- The C compiler identification is GNU 4.8.5
>> > -- The CXX compiler identification is GNU 4.8.5
>> > -- Check for working C compiler: /usr/bin/gcc
>> > -- Check for working C compiler: /usr/bin/gcc -- wor

Re: [gmx-users] AVX related compiler error during build with P100 RHEL7

2017-07-03 Thread Guyen Gn
Still did not work. change xMIC to xCore and log is below (if it was other
way around, then originally it must have not worked).
Script file is all oneline.

-- Performing Test C_xCORE_AVX512_FLAG_WORKS
-- Performing Test C_xCORE_AVX512_FLAG_WORKS - Failed
-- Performing Test C_mavx512f_mfma_FLAG_WORKS
-- Performing Test C_mavx512f_mfma_FLAG_WORKS - Failed
-- Performing Test C_mavx512f_FLAG_WORKS
-- Performing Test C_mavx512f_FLAG_WORKS - Failed
-- Performing Test C_arch_AVX_FLAG_WORKS
-- Performing Test C_arch_AVX_FLAG_WORKS - Failed
-- Performing Test C_hgnu_FLAG_WORKS
-- Performing Test C_hgnu_FLAG_WORKS - Failed
-- Performing Test C_FLAG_WORKS
-- Performing Test C_FLAG_WORKS - Success
-- Performing Test C_COMPILE_WORKS
-- Performing Test C_COMPILE_WORKS - Failed
-- Compiler flag was valid, but executable did not build - perhaps update
the binutils package
-- Performing Test CXX_xCORE_AVX512_FLAG_WORKS
-- Performing Test CXX_xCORE_AVX512_FLAG_WORKS - Failed
-- Performing Test CXX_mavx512f_mfma_FLAG_WORKS
-- Performing Test CXX_mavx512f_mfma_FLAG_WORKS - Failed
-- Performing Test CXX_mavx512f_FLAG_WORKS
-- Performing Test CXX_mavx512f_FLAG_WORKS - Failed
-- Performing Test CXX_arch_AVX_FLAG_WORKS
-- Performing Test CXX_arch_AVX_FLAG_WORKS - Failed
-- Performing Test CXX_hgnu_FLAG_WORKS
-- Performing Test CXX_hgnu_FLAG_WORKS - Failed
-- Performing Test CXX_FLAG_WORKS
-- Performing Test CXX_FLAG_WORKS - Success
-- Performing Test CXX_COMPILE_WORKS
-- Performing Test CXX_COMPILE_WORKS - Failed
-- Compiler flag was valid, but executable did not build - perhaps update
the binutils package
CMake Error at cmake/gmxManageSimd.cmake:92 (message):
  Found a compiler flag for AVX 512F support, but some other problem exists.
  Update your assembler and/or linker, e.g.  in the binutils package of your
  distribution.
Call Stack (most recent call first):
  cmake/gmxManageSimd.cmake:314
(gmx_give_fatal_error_when_simd_support_not_found)
  CMakeLists.txt:666 (gmx_manage_simd)


-- Configuring incomplete, errors occurred!


On Mon, Jul 3, 2017 at 2:44 PM, Mark Abraham 
wrote:

> Hi,
>
> On Mon, Jul 3, 2017 at 10:50 PM Guyen Gn  wrote:
>
> > Sorry for long wait on response, basically i followed the instruction at
> > nvidia website:
> >
> > http://www.nvidia.com/object/gromacs-installation.html
> >
> > I instaled GPU driver versoin 369, as well as CUDA, gcc, cmake. After
> that
> > it tells to run following:
> >
> > CC=gcc CXX=g++ cmake  -DGMX_OPENMP=ON -DGMX_GPU=ON -
> > DGPU_DEPLOYMENT_KIT_ROOT_DIR= -DGMX_BUILD_OWN_FFTW=ON -
> > DGMX_PREFER_STATIC_LIBS=ON -DCMAKE_BUILD_TYPE=Release -
> > DCMAKE_INSTALL_PREFIX=
> >
> > I tweaked as follows to fit my environment I setup (basically just
> > installation source and run directory:
> > CC=gcc CXX=g++ cmake /root/gromacs/gromacs-2016 -DGMX_OPENMP=ON
> > -DGMX_GPU=ON -DGPU_DEPLOYMENT_KIT_ROOT_DIR=/usr/local/cuda
> > -DGMX_BUILD_OWN_FFTW=ON -DGMX_PREFER_STATIC_LIBS=ON
> > -DCMAKE_BUILD_TYPE=Release
> > -DCMAKE_INSTALL_PREFIX=/root/gromacs/gromacs-2016-run inside build.sh
> shell
> > script.
> >
> > This is the full log, I highlighted toward the end section of code where
> it
> > started to fail. It appears something related to AVX. Thanks.,
> >
> > [root@localhost gromacs-2016]# ./build.sh
> > CMake Error: The source directory "/root/gromacs/gromacs-2016/-" does not
> > exist.
> > Specify --help for usage, or press the help button on the CMake GUI.
> > ./build.sh: line 2: -DGMX_BUILD_OWN_FFTW=ON: command not found
> > ./build.sh: line 3: -DCMAKE_BUILD_TYPE=Release: command not found
> >
>
> All the above is because your script needed editing to handle newlines from
> your copy-paste.
>
>
> > [root@localhost gromacs-2016]# nano -w build.sh
> > [root@localhost gromacs-2016]# pwd
> > /root/gromacs/gromacs-2016
> > [root@localhost gromacs-2016]# mkdir ~/gromacs/gromacs-run
> > [root@localhost gromacs-2016]# ./build.sh
> > -- The C compiler identification is GNU 4.8.5
> > -- The CXX compiler identification is GNU 4.8.5
> > -- Check for working C compiler: /usr/bin/gcc
> > -- Check for working C compiler: /usr/bin/gcc -- works
> > -- Detecting C compiler ABI info
> > -- Detecting C compiler ABI info - done
> > -- Check for working CXX compiler: /usr/bin/g++
> > -- Check for working CXX compiler: /usr/bin/g++ -- works
> > -- Detecting CXX compiler ABI info
> > -- Detecting CXX compiler ABI info - done
> > -- Performing Test CXXFLAG_STD_CXX0X
> > -- Performing Test CXXFLAG_STD_CXX0X - Success
> > -- Performing Test CXX11_SUPPORTED
> > -- Performing Test CXX11_SUPPORTED - Success
> > -- Performing Test CXX11_STDLIB_PRESENT
> >

Re: [gmx-users] AVX related compiler error during build with P100 RHEL7

2017-07-03 Thread Guyen Gn
.h
-- Looking for include file mm_malloc.h - found
-- Looking for include file malloc.h
-- Looking for include file malloc.h - found
-- Looking for include file xmmintrin.h
-- Looking for include file xmmintrin.h - found
-- Checking for _mm_malloc()
-- Checking for _mm_malloc() - supported
-- Looking for posix_memalign
-- Looking for posix_memalign - found
-- Looking for memalign
-- Looking for memalign - not found
-- Check if the system is big endian
-- Searching 16 bit integer
-- Looking for sys/types.h
-- Looking for sys/types.h - found
-- Looking for stdint.h
-- Looking for stdint.h - found
-- Looking for stddef.h
-- Looking for stddef.h - found
-- Check size of unsigned short
-- Check size of unsigned short - done
-- Using unsigned short
-- Check if the system is big endian - little endian
Searching for static libraries requested, so the GROMACS libraries will
also be static (BUILD_SHARED_LIBS=OFF)
-- Could NOT find Hwloc (missing:  HWLOC_LIBRARIES HWLOC_INCLUDE_DIRS)
(Required is at least version "1.5")
-- Looking for include file pthread.h
-- Looking for include file pthread.h - found
-- Looking for pthread_create
-- Looking for pthread_create - not found
-- Looking for pthread_create in pthreads
-- Looking for pthread_create in pthreads - not found
-- Looking for pthread_create in pthread
-- Looking for pthread_create in pthread - found
-- Found Threads: TRUE
-- Looking for include file pthread.h
-- Looking for include file pthread.h - found
-- Atomic operations found
-- Performing Test PTHREAD_SETAFFINITY
-- Performing Test PTHREAD_SETAFFINITY - Success
-- Check if the system is big endian
-- Searching 16 bit integer
-- Using unsigned short
-- Check if the system is big endian - little endian
-- Looking for inttypes.h
-- Looking for inttypes.h - found
-- Enabling single compilation unit for the CUDA non-bonded module.
Multiple compilation units are not compatible with CC 2.x devices, to
enable the feature specify only CC >=3.0 target architectures in
GMX_CUDA_TARGET_SM/GMX_CUDA_TARGET_COMPUTE.
-- Setting build user/date/host/cpu information
-- Setting build user & time - OK
-- Checking for 64-bit off_t
-- Checking for 64-bit off_t - present
-- Checking for fseeko/ftello
-- Checking for fseeko/ftello - present
-- Checking for SIGUSR1
-- Checking for SIGUSR1 - found
-- Checking for pipe support
-- Looking for C++ include regex
-- Looking for C++ include regex - found
-- Checking for system XDR support
-- Checking for system XDR support - present
-- Performing Test C_xMIC_AVX512_FLAG_WORKS




































*-- Performing Test C_xMIC_AVX512_FLAG_WORKS - Failed-- Performing Test
C_mavx512f_mfma_FLAG_WORKS-- Performing Test C_mavx512f_mfma_FLAG_WORKS -
Failed-- Performing Test C_mavx512f_FLAG_WORKS-- Performing Test
C_mavx512f_FLAG_WORKS - Failed-- Performing Test C_arch_AVX_FLAG_WORKS--
Performing Test C_arch_AVX_FLAG_WORKS - Failed-- Performing Test
C_hgnu_FLAG_WORKS-- Performing Test C_hgnu_FLAG_WORKS - Failed-- Performing
Test C_FLAG_WORKS-- Performing Test C_FLAG_WORKS - Success-- Performing
Test C_COMPILE_WORKS-- Performing Test C_COMPILE_WORKS - Failed-- Compiler
flag was valid, but executable did not build - perhaps update the binutils
package-- Performing Test CXX_xMIC_AVX512_FLAG_WORKS-- Performing Test
CXX_xMIC_AVX512_FLAG_WORKS - Failed-- Performing Test
CXX_mavx512f_mfma_FLAG_WORKS-- Performing Test CXX_mavx512f_mfma_FLAG_WORKS
- Failed-- Performing Test CXX_mavx512f_FLAG_WORKS-- Performing Test
CXX_mavx512f_FLAG_WORKS - Failed-- Performing Test
CXX_arch_AVX_FLAG_WORKS-- Performing Test CXX_arch_AVX_FLAG_WORKS -
Failed-- Performing Test CXX_hgnu_FLAG_WORKS-- Performing Test
CXX_hgnu_FLAG_WORKS - Failed-- Performing Test CXX_FLAG_WORKS-- Performing
Test CXX_FLAG_WORKS - Success-- Performing Test CXX_COMPILE_WORKS--
Performing Test CXX_COMPILE_WORKS - Failed-- Compiler flag was valid, but
executable did not build - perhaps update the binutils packageCMake Error
at cmake/gmxManageSimd.cmake:92 (message):  Found a compiler flag for AVX
512F support, but some other problem exists.  Update your assembler and/or
linker, e.g.  in the binutils package of your  distribution.Call Stack
(most recent call first):  cmake/gmxManageSimd.cmake:314
(gmx_give_fatal_error_when_simd_support_not_found)  CMakeLists.txt:666
(gmx_manage_simd)*



On Mon, Jun 19, 2017 at 4:21 PM, Mark Abraham 
wrote:

> Hi,
>
> We can't support third party build guides, but please follow ours and ask
> questions about it here. Provide full details.
>
> Mark
>
> On Mon, 19 Jun 2017 23:39 Guyen Gn  wrote:
>
> > I have used the Nvidia's gromacs page to buid and run the gromacs.
> > Few months back, I have used the Xeon CPU to build and run
> > successfully on RHEL7.2. This also used the M6 GPU card.
> > Now the same build is failing with AVX related compiler error if I use
> > latest Skylake processor and P100 GPU. I have tried sever

[gmx-users] AVX related compiler error during build with P100 RHEL7

2017-06-19 Thread Guyen Gn
I have used the Nvidia's gromacs page to buid and run the gromacs.
Few months back, I have used the Xeon CPU to build and run
successfully on RHEL7.2. This also used the M6 GPU card.
Now the same build is failing with AVX related compiler error if I use
latest Skylake processor and P100 GPU. I have tried several
permutations and all are same. May I get a support here? if so, I can
send the details (build error log, system configuration, version of
gromacs used etc.,)
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