Re: [AMBER-Developers] TOT PMEMD cuda_serial unbuildable?

From: Scott Le Grand <varelse2005.gmail.com>
Date: Mon, 7 Mar 2022 19:36:12 -0800

For example:
gfortran --version
GNU Fortran (Ubuntu 8.4.0-1ubuntu1~16.04.1) 8.4.0
Copyright (C) 2018 Free Software Foundation, Inc.
This is free software; see the source for copying conditions. There is NO
warranty; not even for MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.

gcc --version
gcc (Ubuntu 8.4.0-1ubuntu1~16.04.1) 8.4.0
Copyright (C) 2018 Free Software Foundation, Inc.
This is free software; see the source for copying conditions. There is NO
warranty; not even for MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.

g++ --version
g++ (Ubuntu 8.4.0-1ubuntu1~16.04.1) 8.4.0
Copyright (C) 2018 Free Software Foundation, Inc.
This is free software; see the source for copying conditions. There is NO
warranty; not even for MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.



but dumping the correct variables within cmake I get:
CMAKE_CXX_COMPILER_VERSION=5.4.0
CMAKE_Fortran_COMPILER_VERSION=5.4.0
CMAKE_Fortran_COMPILER_VERSION=5.4.0

configuration:
update-alternatives --config gcc
There is only one alternative in link group gcc (providing /usr/bin/gcc):
/usr/bin/gcc-8
Nothing to configure.

update-alternatives --config g++
There is only one alternative in link group g++ (providing /usr/bin/g++):
/usr/bin/g++-8

update-alternatives --config gfortran
There is only one alternative in link group gfortran (providing
/usr/bin/gfortran): /usr/bin/gfortran-8
Nothing to configure.

i'm stumped.





On Mon, Mar 7, 2022 at 7:23 PM Scott Le Grand <varelse2005.gmail.com> wrote:

> Silent fail on gcc 5.4.0, compilers updated, but cmake keeps insisting I'm
> still on 5.4.0
>
> gcc --version
> gcc (Ubuntu 8.4.0-1ubuntu1~16.04.1) 8.4.0
> Copyright (C) 2018 Free Software Foundation, Inc.
> This is free software; see the source for copying conditions. There is NO
> warranty; not even for MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.
>
>
>
> On Mon, Mar 7, 2022 at 5:07 PM Scott Le Grand <varelse2005.gmail.com>
> wrote:
>
>> Got a bit further, but this error is more or less useless:
>>
>> Call Stack (most recent call first):
>> cmake/AmberBuildSystem2ndInit.cmake:30 (include)
>> CMakeLists.txt:111 (include)
>>
>>
>> -- Configuring incomplete, errors occurred!
>> See also
>> "/media/work/slegrand/amber20_src/build/CMakeFiles/CMakeOutput.log".
>>
>> No obvious errors in this file, just apparently punts after:
>> Run Build Command(s):/usr/bin/make cmTC_3302b/fast
>> /usr/bin/make -f CMakeFiles/cmTC_3302b.dir/build.make
>> CMakeFiles/cmTC_3302b.dir/build
>> make[1]: Entering directory
>> '/media/work/slegrand/amber20_src/build/CMakeFiles/CMakeTmp'
>> Building Fortran object
>> CMakeFiles/cmTC_3302b.dir/testFortranCompilerF90.f90.o
>> /usr/bin/gfortran -c
>> /media/work/slegrand/amber20_src/build/CMakeFiles/CMakeTmp/testFortranCompilerF90.f90
>> -o CMakeFiles/cmTC_3302b.dir/testFortranCompilerF90.f90.o
>> Linking Fortran executable cmTC_3302b
>> /usr/bin/cmake -E cmake_link_script CMakeFiles/cmTC_3302b.dir/link.txt
>> --verbose=1
>> /usr/bin/gfortran
>> CMakeFiles/cmTC_3302b.dir/testFortranCompilerF90.f90.o -o cmTC_3302b
>> make[1]: Leaving directory
>> '/media/work/slegrand/amber20_src/build/CMakeFiles/CMakeTmp'
>>
>> On Mon, Mar 7, 2022 at 4:51 PM Scott Le Grand <varelse2005.gmail.com>
>> wrote:
>>
>>> Is it in your pmemd/src directory?
>>>
>>>
>>>
>>> On Mon, Mar 7, 2022 at 4:50 PM Jason Swails <jason.swails.gmail.com>
>>> wrote:
>>>
>>>> Maybe the file was deleted and the git tree needs to be cleaned?
>>>>
>>>> --
>>>> Jason M. Swails
>>>>
>>>> > On Mar 7, 2022, at 7:46 PM, Scott Le Grand <varelse2005.gmail.com>
>>>> wrote:
>>>> >
>>>> > That major thing I'm seeing is that that xray_unit_cell.F90 file
>>>> doesn't
>>>> > even exist.
>>>> >
>>>> > cmake and configure deliver the same error.
>>>> >
>>>> >> On Mon, Mar 7, 2022 at 4:30 PM Jason Swails <jason.swails.gmail.com>
>>>> wrote:
>>>> >>
>>>> >> Our CI tests serial and parallel builds via cmake, so master builds
>>>> should
>>>> >> work fine.
>>>> >>
>>>> >> How are you building? Configure or cmake? (The former is unsupported
>>>> and
>>>> >> dependencies are likely out of date at this point).
>>>> >>
>>>> >>
>>>> >> --
>>>> >> Jason M. Swails
>>>> >>
>>>> >>> On Mar 7, 2022, at 7:10 PM, Scott Le Grand <varelse2005.gmail.com>
>>>> >> wrote:
>>>> >>>
>>>> >>> Anyone else seeing this?
>>>> >>>
>>>> >>> [PMEMD] FC xray_globals.F90
>>>> >>> xray_globals.F90:5:7:
>>>> >>>
>>>> >>> use xray_unit_cell_module, only: unit_cell_t
>>>> >>> 1
>>>> >>> Fatal Error: Can't open module file ‘xray_unit_cell_module.mod’ for
>>>> >> reading
>>>> >>> at (1): No such file or directory
>>>> >>> _______________________________________________
>>>> >>> AMBER-Developers mailing list
>>>> >>> AMBER-Developers.ambermd.org
>>>> >>> http://lists.ambermd.org/mailman/listinfo/amber-developers
>>>> >> _______________________________________________
>>>> >> AMBER-Developers mailing list
>>>> >> AMBER-Developers.ambermd.org
>>>> >> http://lists.ambermd.org/mailman/listinfo/amber-developers
>>>> >>
>>>> > _______________________________________________
>>>> > AMBER-Developers mailing list
>>>> > AMBER-Developers.ambermd.org
>>>> > http://lists.ambermd.org/mailman/listinfo/amber-developers
>>>> _______________________________________________
>>>> AMBER-Developers mailing list
>>>> AMBER-Developers.ambermd.org
>>>> http://lists.ambermd.org/mailman/listinfo/amber-developers
>>>>
>>>
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Received on Mon Mar 07 2022 - 20:00:03 PST
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