Yes,
./configure -mpi gnu && make install
after the serial build completes successfully. If that works then
there is probably a missing dependency in the build process somewhere.
-Dan
On Tue, Oct 14, 2014 at 3:05 PM, 肖立 <xiaoli19871216.gmail.com> wrote:
> Hi, Daniel:
> I can successfully build the serial version. Do you mean I type
> ./configure -mpi gnu
> after finish installing the serial version?
>
> Thank you
> Li
>
> On Tue, Oct 14, 2014 at 1:59 PM, Daniel Roe <daniel.r.roe.gmail.com> wrote:
>>
>> Hi,
>>
>> I wonder if this could be a dependency thing - what happens if you
>> configure/build serial first before parallel?
>>
>> -Dan
>>
>> On Mon, Oct 13, 2014 at 9:16 PM, 肖立 <xiaoli19871216.gmail.com> wrote:
>> > Hi, Daniel:
>> > Thank you for the reply. I use the following command:
>> > ./configure -mpi gnu
>> > source amber.sh
>> > make install
>> >
>> > I use the command to download the source:
>> > git clone gitosis.git.ambermd.org:amber.git amber
>> >
>> > All the best
>> > Li
>> >
>> >
>> >
>> >
>> >
>> > On Mon, Oct 13, 2014 at 7:50 PM, Daniel Roe <daniel.r.roe.gmail.com>
>> > wrote:
>> >>
>> >> Hi,
>> >>
>> >> Since this question has to do with the current development branch it's
>> >> probably better if sent to the developer's list rather than the main
>> >> mailing list.
>> >>
>> >> On Mon, Oct 13, 2014 at 12:08 PM, 肖立 <xiaoli19871216.gmail.com> wrote:
>> >> > to install the amber14 as of August, but we are having errors
>> >> > compiling
>> >> > under mpi gnu.I have included the error message below, Could anyone
>> >> > tell
>> >> > me
>> >> > what's the problem?
>> >> >
>> >> > I get this error when trying to compile a new clone of master branch:
>> >> > "
>> >> > make[2]: Entering directory
>> >> >
>> >> >
>> >> > `/home/lxiao/nse2_amber/amber_mpi_new/AmberTools/src/mmpbsa_py'/home/lxiao/nse2_amber/amber_mpi_new/bin/nab
>> >> > -o /home/lxiao/nse2_amber/amber_mpi_new/bin/mmpbsa_py_nabnmode
>> >> > mmpbsa_entropy.nabmake[2]:
>> >> > /home/lxiao/nse2_amber/amber_mpi_new/bin/nab:
>> >> > Command not foundmake[2]: ***
>> >>
>> >> I'm not sure if there was a formatting issue when you pasted this but
>> >> it looks like maybe the nab program wasn't found. What were the exact
>> >> commands you used to configure and build? Are you sure your GIT tree
>> >> is up to date?
>> >>
>> >> -Dan
>> >>
>> >> PS - Although I'm able to build Amber/MPI on my local machine and
>> >> several remote machines successfully, I notice that the same error
>> >> does appear to be popping up in cruise control
>> >>
>> >>
>> >> (http://cc.ambermd.org/dashboard/tab/build/detail/Amber_parallel_gnu-4.4.6).
>> >> I'll try to look into this further...
>> >>
>> >> > [/home/lxiao/nse2_amber/amber_mpi_new/bin/mmpbsa_py_nabnmode] Error
>> >> > 127make[2]: Leaving directory
>> >> >
>> >> > `/home/lxiao/nse2_amber/amber_mpi_new/AmberTools/src/mmpbsa_py'make[1]:
>> >> > ***
>> >> > [parallel] Error 2
>> >> > make[1]: Leaving directory
>> >> > `/home/lxiao/nse2_amber/amber_mpi_new/AmberTools/src'
>> >> > make: *** [install] Error 2
>> >> > "
>> >> >
>> >> > --
>> >> > Li Xiao
>> >> > University of California, Irvine
>> >> > Email: xiaoli19871216.gmail.com
>> >> > _______________________________________________
>> >> > AMBER mailing list
>> >> > AMBER.ambermd.org
>> >> > http://lists.ambermd.org/mailman/listinfo/amber
>> >>
>> >>
>> >>
>> >> --
>> >> -------------------------
>> >> Daniel R. Roe, PhD
>> >> Department of Medicinal Chemistry
>> >> University of Utah
>> >> 30 South 2000 East, Room 307
>> >> Salt Lake City, UT 84112-5820
>> >> http://home.chpc.utah.edu/~cheatham/
>> >> (801) 587-9652
>> >> (801) 585-6208 (Fax)
>> >
>> >
>> >
>> >
>> > --
>> > Li Xiao
>> > University of California, Irvine
>> > Email: xiaoli19871216.gmail.com
>>
>>
>>
>> --
>> -------------------------
>> Daniel R. Roe, PhD
>> Department of Medicinal Chemistry
>> University of Utah
>> 30 South 2000 East, Room 307
>> Salt Lake City, UT 84112-5820
>> http://home.chpc.utah.edu/~cheatham/
>> (801) 587-9652
>> (801) 585-6208 (Fax)
>
>
>
>
> --
> Li Xiao
> University of California, Irvine
> Email: xiaoli19871216.gmail.com
--
-------------------------
Daniel R. Roe, PhD
Department of Medicinal Chemistry
University of Utah
30 South 2000 East, Room 307
Salt Lake City, UT 84112-5820
http://home.chpc.utah.edu/~cheatham/
(801) 587-9652
(801) 585-6208 (Fax)
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Received on Tue Oct 14 2014 - 14:30:03 PDT
