Yes, its 19 (sorry for not mentioning)... I still need to modify it manually to make it work ...
Best, Vlad
On 12 November 2019 15:49:44 CET, Daniel Roe <daniel.r.roe.gmail.com> wrote:
>Hi,
>
>What version of AmberTools is this? In the latest (AmberTools19),
>cpptraj gets configured to use -qopenmp with recent intel compilers.
>
>-Dan
>
>On Fri, Nov 8, 2019 at 8:34 AM Vlad Cojocaru
><vlad.cojocaru.mpi-muenster.mpg.de> wrote:
>>
>> Ok, I was missing the "external.config.h" file .... Now if "-openmp"
>is
>> changed to "-qopenmp" in all *config.h files, it compiles ...
>>
>> Best
>> Vlad
>>
>>
>> On 11/8/19 2:13 PM, Vlad Cojocaru wrote:
>> > Dear all,
>> >
>> > Building the openmp version of amber executables with the intel
>2019
>> > compiler fails with the error below:
>> > The Amber configure script does not accept the "-qopenmp" flag ...
>> >
>> > I noticed that the config.h in $AMBERHOME already uses this flag so
>what
>> > I tried fix this by manually changing the config.h headers in the
>> > relevant src directories but even after changing I still get the
>same
>> > error (for icc) ....So, probably I need to change more than I
>identified ..
>> >
>> > Can anyone advise me how to fix this ?
>> >
>> > Best,
>> > Vlad
>> >
>> > icpc: command line error: option '-openmp' is not supported. Please
>use
>> > the replacement option '-qopenmp'
>> > make[4]: *** [SpaceGroup.o] Error 1
>> > make[4]: *** Waiting for unfinished jobs....
>> > icpc: command line error: option '-openmp' is not supported. Please
>use
>> > the replacement option '-qopenmp'
>> > icpc: command line error: option '-openmp' is not supported. Please
>use
>> > the replacement option '-qopenmp'
>> > make[4]: *** [ActionFrameCounter.o] Error 1
>> > make[4]: *** [Action_Align.o] Error 1
>> > icpc: command line error: option '-openmp' is not supported. Please
>use
>> > the replacement option '-qopenmp'
>> > icpc: command line error: option '-openmp' is not supported. Please
>use
>> > the replacement option '-qopenmp'
>> > make[4]: *** [ActionList.o] Error 1
>> > make[4]: *** [Action_Angle.o] Error 1
>> > icpc: command line error: option '-openmp' is not supported. Please
>use
>> > the replacement option '-qopenmp'
>> > icpc: command line error: option '-openmp' is not supported. Please
>use
>> > the replacement option '-qopenmp'
>> > make[4]: *** [Action_AtomicCorr.o] Error 1
>> > make[4]: *** [Action.o] Error 1
>> > icpc: command line error: option '-openmp' is not supported. Please
>use
>> > the replacement option '-qopenmp'
>> > make[4]: *** [Action_AtomicFluct.o] Error 1
>> > icpc: command line error: option '-openmp' is not supported. Please
>use
>> > the replacement option '-qopenmp'
>> > make[4]: *** [Action_AutoImage.o] Error 1
>> > icpc: command line error: option '-openmp' is not supported. Please
>use
>> > the replacement option '-qopenmp'
>> > icpc: command line error: option '-openmp' is not supported. Please
>use
>> > the replacement option '-qopenmp'
>> > make[4]: *** [Action_AtomMap.o] Error 1
>> > make[4]: *** [Action_Center.o] Error 1
>> > icpc: command line error: option '-openmp' is not supported. Please
>use
>> > the replacement option '-qopenmp'
>> > icpc: command line error: option '-openmp' is not supported. Please
>use
>> > the replacement option '-qopenmp'
>> > make[4]: *** [Action_Box.o] Error 1
>> > icpc: command line error: option '-openmp' is not supported. Please
>use
>> > the replacement option '-qopenmp'
>> > make[4]: *** [Action_Bounds.o] Error 1
>> > make[4]: *** [Action_Channel.o] Error 1
>> > icpc: command line error: option '-openmp' is not supported. Please
>use
>> > the replacement option '-qopenmp'
>> > make[4]: *** [Action_AreaPerMol.o] Error 1
>> > icpc: command line error: option '-openmp' is not supported. Please
>use
>> > the replacement option '-qopenmp'
>> > make[4]: *** [Action_Average.o] Error 1
>> > make[3]: *** [install] Error 2
>> > make[2]: *** [build_cpptraj] Error 2
>> > make[1]: *** [openmp] Error 2
>> > make: *** [install] Error 2
>> >
>>
>> --
>> Vlad Cojocaru, PD (Habil.), Ph.D.
>> -----------------------------------------------
>> Project Group Leader
>> Department of Cell and Developmental Biology
>> Max Planck Institute for Molecular Biomedicine
>> Röntgenstrasse 20, 48149 Münster, Germany
>> -----------------------------------------------
>> Tel: +49-251-70365-324; Fax: +49-251-70365-399
>> Email: vlad.cojocaru[at]mpi-muenster.mpg.de
>> http://www.mpi-muenster.mpg.de/43241/cojocaru
>>
>>
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Received on Tue Nov 12 2019 - 07:00:03 PST
