Hi,
Sweet vindication for Dan:
Currently Loaded Modules:
1) xalt/latest 3) cxx17/7.3.0 5) intelmpi/2017.4
2) modules/au2018 4) intel/17.0.7 6) cmake/3.11.4
-- Testing if stdlib.h can be included... yes
-- Could NOT find MPI_C (missing: MPI_mpigi_LIBRARY MPI_C_WORKS)
-- Could NOT find MPI_CXX (missing: MPI_mpigi_LIBRARY MPI_CXX_WORKS)
-- Could NOT find MPI_Fortran (missing: MPI_mpigi_LIBRARY MPI_Fortran_WORKS)
-- Could NOT find MPI (missing: MPI_C_FOUND MPI_CXX_FOUND MPI_Fortran_FOUND)
CMake Error at cmake/MPIConfig.cmake:12 (message):
You requested MPI, but the MPI C library was not found. Please install one
and try again, or set MPI_C_INCLUDE_PATH and MPI_C_LIBRARIES to point to
your MPI.
Call Stack (most recent call first):
CMakeLists.txt:118 (include)
-- Configuring incomplete, errors occurred!
din din time, might investigate tonight...
scott
On Wed, Apr 29, 2020 at 09:15:58PM -0400, Scott Brozell wrote:
> Hi,
>
> 1. intelmpi 2019.5
> Built; parallel np=2 tests running: now at
> export TESTsander=/tmp/junk/amber20///bin/sander.MPI; cd pheMTI && ./Run.lambda1
> ...
>
> Check wiki for further updates.
>
> 2. macOS
> Well i didn't check your link ... but it smells like what happened to
> me: i downloaded the cmake 3.17.2 dmg from cmake.org/download ...
> But that got me a cmake app which i found useless.
>
> So i built from source; same download page; follow 3 step instr. at
> cmake.org/install; built cmake fine.
> Then i edited run_cmake just to insert the full path for cmake since
> i installed cmake in my home dir.
> Now running run_cmake.
>
> Check wiki for further updates.
>
> scott
>
> On Thu, Apr 30, 2020 at 12:25:27AM +0000, B. Lachele Foley wrote:
> > One of the people trying the Mac install had trouble installing cmake. He's using the instructions at the link below. I don't know Mac well at all, but it seems that cmake-gui down in Applications/CMake.app is symlinked to some other folder and it won't run properly to do the install.
> >
> > Are there other/better instructions to give him?
> >
> > https://nam02.safelinks.protection.outlook.com/?url=https%3A%2F%2Ftudat.tudelft.nl%2Finstallation%2FsetupDevMacOs.html&data=02%7C01%7Csbrozell%40iqb.rutgers.edu%7C39c56f69b5e64c720a7208d7eca40e91%7Cb92d2b234d35447093ff69aca6632ffe%7C1%7C0%7C637238061673791727&sdata=LQVrlzLDLL5%2BV3H5PpDB6PjotYHNYg%2BY426MXMQleoY%3D&reserved=0
> >
> > :-) Lachele
> >
> > Dr. B. Lachele Foley (she/her/hers)
> > Associate Research Scientist
> > Complex Carbohydrate Research Center
> > The University of Georgia
> > Athens, GA USA
> > lfoley.uga.edu
> > https://nam02.safelinks.protection.outlook.com/?url=http%3A%2F%2Fglycam.org%2F&data=02%7C01%7Csbrozell%40iqb.rutgers.edu%7C39c56f69b5e64c720a7208d7eca40e91%7Cb92d2b234d35447093ff69aca6632ffe%7C1%7C0%7C637238061673791727&sdata=l%2B%2Fg0%2FZUXjGa7IhpgGLjBBXQjTfOnQbdCV6fs6LskxE%3D&reserved=0
> > ________________________________
> > From: Scott Brozell <sbrozell.iqb.rutgers.edu>
> > Sent: Wednesday, April 29, 2020 7:55 PM
> > To: AMBER Developers Mailing List <amber-developers.ambermd.org>
> > Subject: Re: [AMBER-Developers] Release candidate 5 for Amber20/AmberTools20
> >
> > [EXTERNAL SENDER - PROCEED CAUTIOUSLY]
> >
> >
> > Hi,
> >
> > I built and tested RC3 with intel/19.0.5 intelmpi/2019.5.
> > And i am at 36% in make install with RC5.
> > I searched my dir tree for mpigi and got no hits.
> >
> >
> > Details FWIW:
> >
> > Currently Loaded Modules:
> > 1) xalt/latest 3) gcc-compatibility/8.4.0 5) mkl/2018.0.3 7) cmake/3.16.5
> > 2) modules/au2018 4) intel/19.0.5 6) intelmpi/2019.5
> >
> > (Note to those actually reading this far; mkl/2018.0.3 was unintentional,
> > so this may be a rare test of OSC or Amber treatment of out of sync
> > mkl and compilers ...)
> >
> > # Assume this is Linux:
> >
> > cmake $AMBER_PREFIX/amber20_src \
> > -DCMAKE_INSTALL_PREFIX=$AMBER_PREFIX/amber20 \
> > -DCOMPILER=MANUAL \
> > -DCMAKE_C_COMPILER=$OSC_CC \
> > -DCMAKE_CXX_COMPILER=$OSC_CXX \
> > -DCMAKE_Fortran_COMPILER=$OSC_F90 \
> > -DMPI=TRUE -DCUDA=FALSE -DINSTALL_TESTS=TRUE \
> > -DDOWNLOAD_MINICONDA=TRUE -DMINICONDA_USE_PY3=TRUE \
> > -DCOLOR_CMAKE_MESSAGES=FALSE \
> > 2>&1 | tee cmake.log
> >
> > OSC_CC=icc
> > OSC_COMPILER=intel
> > OSC_COMPILER_MAJOR=19
> > OSC_COMPILER_MINOR=0
> > OSC_CXX=icpc
> > OSC_F77=ifort
> > OSC_F90=ifort
> >
> > scott
> >
> > On Wed, Apr 29, 2020 at 04:11:04PM -0400, Daniel Roe wrote:
> > > For the parallel build, I can't get RC5 to get past the initial
> > > run_cmake phase with Intel 17.0.4 + Intel MPI + cmake 3.13.2:
> > >
> > > ```
> > > -- Could NOT find MPI_C (missing: MPI_mpigi_LIBRARY MPI_C_WORKS)
> > > -- Could NOT find MPI_CXX (missing: MPI_mpigi_LIBRARY MPI_CXX_WORKS)
> > > -- Could NOT find MPI_Fortran (missing: MPI_mpigi_LIBRARY MPI_Fortran_WORKS)
> > > -- Could NOT find MPI (missing: MPI_C_FOUND MPI_CXX_FOUND MPI_Fortran_FOUND)
> > > CMake Error at cmake/MPIConfig.cmake:12 (message):
> > > You requested MPI, but the MPI C library was not found. Please install one
> > > and try again, or set MPI_C_INCLUDE_PATH and MPI_C_LIBRARIES to point to
> > > your MPI.
> > > Call Stack (most recent call first):
> > > CMakeLists.txt:118 (include)
> > > ```
> > >
> > > Run after setting -DCOMILER to INTEL, and -DMPI and -DCUDA to TRUE.
> > > CMakeOutput.log is quite monolithic and it's not immediately clear to
> > > me what's going wrong (I can send it to interested parties if needed).
> > > The serial cmake (-DMPI=FALSE -DCUDA=FALSE) + install works. Note that
> > > the parallel cmake fails even after the serial cmake + install
> > > succeeds. Legacy configure works normally.
> > >
> >
> > On Wed, Apr 29, 2020 at 06:54:02PM -0400, Brent Krueger wrote:
> > > Gerald -- CentOS 8 with MPICH does seem to be working for me. Build was
> > > find and tests are ongoing -- but most/all seem to be passing so far.
> > >
> > > However, I can NOT build CUDA (either 10.1 or 10.2) with CentOS 8
> > > successfully anymore. Both 10.1 and 10.2 worked fine with CentOS 8 for me
> > > with RC4 and RC3.
> > >
> > > Brent
> > >
> > >
> > > On Wed, Apr 29, 2020 at 4:57 PM David A Case <david.case.rutgers.edu> wrote:
> > >
> > > > On Wed, Apr 29, 2020, Dan Roe wrote:
> > > >
> > > > >For the parallel build, I can't get RC5 to get past the initial
> > > > >run_cmake phase with Intel 17.0.4 + Intel MPI + cmake 3.13.2:
> > > >
> > > > Is this a regression? That is, did earlier release candidates work? If
> > > > so, be sure to let Jamie know (see below), as this can probably be fixed.
> > > >
> > > > I don't have Intel MPI, (it's quite expensive) so can't test what you
> > > > are trying. I've built my own MPI using mpich and the intel compilers
> > > > (i.e. configure_mpich intel) -- will try that out soon.
> > > >
> > > > I can confirm that serial intel works pretty well (see wiki test results
> > > > site). I'm testing version 19.0.5.
> > > >
> > > >
> > > > >
> > > > >```
> > > > >-- Could NOT find MPI_C (missing: MPI_mpigi_LIBRARY MPI_C_WORKS)
> > > > >-- Could NOT find MPI_CXX (missing: MPI_mpigi_LIBRARY MPI_CXX_WORKS)
> > > > >-- Could NOT find MPI_Fortran (missing: MPI_mpigi_LIBRARY
> > > > MPI_Fortran_WORKS)
> > > > >-- Could NOT find MPI (missing: MPI_C_FOUND MPI_CXX_FOUND
> > > > MPI_Fortran_FOUND)
> > > > >CMake Error at cmake/MPIConfig.cmake:12 (message):
> > > > > You requested MPI, but the MPI C library was not found. Please install
> > > > one
> > > > > and try again, or set MPI_C_INCLUDE_PATH and MPI_C_LIBRARIES to point to
> > > > > your MPI.
> > > >
> > > > Be sure that you get problem reports to Jamie
> > > > <jsmith.crackofdawn.onmicrosoft.com>, since I doubt that he follows the
> > > > amber-developers mailing list.
> > > >
> > > > I can't find any Google hits on MPI_mpigi_LIBRARY. You might try
> > > > setting your CMAKE_PREFIX_PATH variable to the location of the intel MPI
> > > > library.
> > > >
>
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Received on Wed Apr 29 2020 - 19:00:01 PDT
