Thanks! That’s great. Sounds like the exact combination I have here. Thanks also to George. Sorry that the test did not trigger on a more standard platform - that would have simplified things.
Best wishes Volker > On Jul 27, 2017, at 3:56 AM, Gilles Gouaillardet <gil...@rist.or.jp> wrote: > > Folks, > > > I am able to reproduce the issue on OS X (Sierra) with stock gcc (aka clang) > and ifort 17.0.4 > > > i will investigate this from now > > > Cheers, > > Gilles > > On 7/27/2017 9:28 AM, George Bosilca wrote: >> Volker, >> >> Unfortunately, I can't replicate with icc. I tried on a x86_64 box with >> Intel compiler chain 17.0.4 20170411 to no avail. I also tested the >> 3.0.0-rc1 tarball and the current master, and you test completes without >> errors on all cases. >> >> Once you figure out an environment where you can consistently replicate the >> issue, I would suggest to attach to the processes and: >> - make sure the MPI_IN_PLACE as seen through the Fortran layer matches what >> the C layer expects >> - what is the collective algorithm used by Open MPI >> >> I have a "Fortran 101" level question. When you pass an array a(:) as >> argument, what exactly gets passed via the Fortran interface to the >> corresponding C function ? >> >> George. >> >> On Wed, Jul 26, 2017 at 1:55 PM, Volker Blum <volker.b...@duke.edu >> <mailto:volker.b...@duke.edu>> wrote: >> >> Thanks! Yes, trying with Intel 2017 would be very nice. >> >> > On Jul 26, 2017, at 6:12 PM, George Bosilca <bosi...@icl.utk.edu >> <mailto:bosi...@icl.utk.edu>> wrote: >> > >> > No, I don't have (or used where they were available) the Intel >> compiler. I used clang and gfortran. I can try on a Linux box with >> the Intel 2017 compilers. >> > >> > George. >> > >> > >> > >> > On Wed, Jul 26, 2017 at 11:59 AM, Volker Blum >> <volker.b...@duke.edu <mailto:volker.b...@duke.edu>> wrote: >> > Did you use Intel Fortran 2017 as well? >> > >> > (I’m asking because I did see the same issue with a combination >> of an earlier Intel Fortran 2017 version and OpenMPI on an >> Intel/Infiniband Linux HPC machine … but not Intel Fortran 2016 on >> the same machine. Perhaps I can revive my access to that >> combination somehow.) >> > >> > Best wishes >> > Volker >> > >> > > On Jul 26, 2017, at 5:55 PM, George Bosilca >> <bosi...@icl.utk.edu <mailto:bosi...@icl.utk.edu>> wrote: >> > > >> > > I thought that maybe the underlying allreduce algorithm fails >> to support MPI_IN_PLACE correctly, but I can't replicate on any >> machine (including OSX) with any number of processes. >> > > >> > > George. >> > > >> > > >> > > >> > > On Wed, Jul 26, 2017 at 10:59 AM, Volker Blum >> <volker.b...@duke.edu <mailto:volker.b...@duke.edu>> wrote: >> > > Thanks! >> > > >> > > I tried ‘use mpi’, which compiles fine. >> > > >> > > Same result as with ‘include mpif.h', in that the output is >> > > >> > > * MPI_IN_PLACE does not appear to work as intended. >> > > * Checking whether MPI_ALLREDUCE works at all. >> > > * Without MPI_IN_PLACE, MPI_ALLREDUCE appears to work. >> > > >> > > Hm. Any other thoughts? >> > > >> > > Thanks again! >> > > Best wishes >> > > Volker >> > > >> > > > On Jul 26, 2017, at 4:06 PM, Gilles Gouaillardet >> <gilles.gouaillar...@gmail.com >> <mailto:gilles.gouaillar...@gmail.com>> wrote: >> > > > >> > > > Volker, >> > > > >> > > > With mpi_f08, you have to declare >> > > > >> > > > Type(MPI_Comm) :: mpi_comm_global >> > > > >> > > > (I am afk and not 100% sure of the syntax) >> > > > >> > > > A simpler option is to >> > > > >> > > > use mpi >> > > > >> > > > Cheers, >> > > > >> > > > Gilles >> > > > >> > > > Volker Blum <volker.b...@duke.edu >> <mailto:volker.b...@duke.edu>> wrote: >> > > >> Hi Gilles, >> > > >> >> > > >> Thank you very much for the response! >> > > >> >> > > >> Unfortunately, I don’t have access to a different system >> with the issue right now. As I said, it’s not new; it just keeps >> creeping up unexpectedly again on different platforms. What >> puzzles me is that I’ve encountered the same problem with low but >> reasonable frequency over a period of now over five years. >> > > >> >> > > >> We can’t require F’08 in our application, unfortunately, >> since this standard is too new. Since we maintain a large >> application that has to run on a broad range of platforms, Fortran >> 2008 would not work for many of our users. In a few years, this >> will be different, but not yet. >> > > >> >> > > >> On gfortran: In our own tests, unfortunately, Intel Fortran >> consistently produced much faster executable code in the past. The >> latter observation may also change someday, but for us, the >> performance difference was an important constraint. >> > > >> >> > > >> I did suspect mpif.h, too. Not sure how to best test this >> hypothesis, however. >> > > >> >> > > >> Just replacing >> > > >> >> > > >>> include 'mpif.h' >> > > >>> with >> > > >>> use mpi_f08 >> > > >> >> > > >> did not work, for me. >> > > >> >> > > >> This produces a number of compilation errors: >> > > >> >> > > >> blum:/Users/blum/codes/fhi-aims/openmpi_test> mpif90 >> check_mpi_in_place_08.f90 -o check_mpi_in_place_08.x >> > > >> check_mpi_in_place_08.f90(55): error #6303: The assignment >> operation or the binary expression operation is invalid for the >> data types of the two operands. [MPI_COMM_WORLD] >> > > >> mpi_comm_global = MPI_COMM_WORLD >> > > >> ----------------------^ >> > > >> check_mpi_in_place_08.f90(57): error #6285: There is no >> matching specific subroutine for this generic subroutine call. >> [MPI_COMM_SIZE] >> > > >> call MPI_COMM_SIZE(mpi_comm_global, n_tasks, mpierr) >> > > >> ---------^ >> > > >> check_mpi_in_place_08.f90(58): error #6285: There is no >> matching specific subroutine for this generic subroutine call. >> [MPI_COMM_RANK] >> > > >> call MPI_COMM_RANK(mpi_comm_global, myid, mpierr) >> > > >> ---------^ >> > > >> check_mpi_in_place_08.f90(75): error #6285: There is no >> matching specific subroutine for this generic subroutine call. >> [MPI_ALLREDUCE] >> > > >> call MPI_ALLREDUCE(MPI_IN_PLACE, & >> > > >> ---------^ >> > > >> check_mpi_in_place_08.f90(94): error #6285: There is no >> matching specific subroutine for this generic subroutine call. >> [MPI_ALLREDUCE] >> > > >> call MPI_ALLREDUCE(check_success, aux_check_success, 1, >> MPI_LOGICAL, & >> > > >> ---------^ >> > > >> check_mpi_in_place_08.f90(119): error #6285: There is no >> matching specific subroutine for this generic subroutine call. >> [MPI_ALLREDUCE] >> > > >> call MPI_ALLREDUCE(test_data(:), & >> > > >> ------------^ >> > > >> check_mpi_in_place_08.f90(140): error #6285: There is no >> matching specific subroutine for this generic subroutine call. >> [MPI_ALLREDUCE] >> > > >> call MPI_ALLREDUCE(check_conventional_mpi, >> aux_check_success, 1, MPI_LOGICAL, & >> > > >> ------------^ >> > > >> compilation aborted for check_mpi_in_place_08.f90 (code 1) >> > > >> >> > > >> This is an interesting result, however … what might I be >> missing? Another use statement? >> > > >> >> > > >> Best wishes >> > > >> Volker >> > > >> >> > > >>> On Jul 26, 2017, at 2:53 PM, Gilles Gouaillardet >> <gilles.gouaillar...@gmail.com >> <mailto:gilles.gouaillar...@gmail.com>> wrote: >> > > >>> >> > > >>> Volker, >> > > >>> >> > > >>> thanks, i will have a look at it >> > > >>> >> > > >>> meanwhile, if you can reproduce this issue on a more >> mainstream >> > > >>> platform (e.g. linux + gfortran) please let me know. >> > > >>> >> > > >>> since you are using ifort, Open MPI was built with Fortran >> 2008 >> > > >>> bindings, so you can replace >> > > >>> include 'mpif.h' >> > > >>> with >> > > >>> use mpi_f08 >> > > >>> and who knows, that might solve your issue >> > > >>> >> > > >>> >> > > >>> Cheers, >> > > >>> >> > > >>> Gilles >> > > >>> >> > > >>> On Wed, Jul 26, 2017 at 5:22 PM, Volker Blum >> <volker.b...@duke.edu <mailto:volker.b...@duke.edu>> wrote: >> > > >>>> Dear Gilles, >> > > >>>> >> > > >>>> Thank you very much for the fast answer. >> > > >>>> >> > > >>>> Darn. I feared it might not occur on all platforms, since >> my former Macbook >> > > >>>> (with an older OpenMPI version) no longer exhibited the >> problem, a different >> > > >>>> Linux/Intel Machine did last December, etc. >> > > >>>> >> > > >>>> On this specific machine, the configure line is >> > > >>>> >> > > >>>> ./configure CC=gcc FC=ifort F77=ifort >> > > >>>> >> > > >>>> ifort version 17.0.4 >> > > >>>> >> > > >>>> blum:/Users/blum/software/openmpi-3.0.0rc1> gcc -v >> > > >>>> Configured with: >> --prefix=/Applications/Xcode.app/Contents/Developer/usr >> > > >>>> --with-gxx-include-dir=/usr/include/c++/4.2.1 >> > > >>>> Apple LLVM version 8.1.0 (clang-802.0.42) >> > > >>>> Target: x86_64-apple-darwin16.6.0 >> > > >>>> Thread model: posix >> > > >>>> InstalledDir: >> > > >>>> >> >> /Applications/Xcode.app/Contents/Developer/Toolchains/XcodeDefault.xctoolchain/usr/bin >> > > >>>> >> > > >>>> The full test program is appended. >> > > >>>> >> > > >>>> Compilation: >> > > >>>> >> > > >>>> mpif90 check_mpi_in_place.f90 >> > > >>>> >> > > >>>> blum:/Users/blum/codes/fhi-aims/openmpi_test> which mpif90 >> > > >>>> /usr/local/openmpi-3.0.0rc1/bin/mpif90 >> > > >>>> >> > > >>>> blum:/Users/blum/codes/fhi-aims/openmpi_test> which mpirun >> > > >>>> /usr/local/openmpi-3.0.0rc1/bin/mpirun >> > > >>>> >> > > >>>> blum:/Users/blum/codes/fhi-aims/openmpi_test> mpirun -np >> 2 a.out >> > > >>>> * MPI_IN_PLACE does not appear to work as intended. >> > > >>>> * Checking whether MPI_ALLREDUCE works at all. >> > > >>>> * Without MPI_IN_PLACE, MPI_ALLREDUCE appears to work. >> > > >>>> >> > > >>>> blum:/Users/blum/codes/fhi-aims/openmpi_test> mpirun -np >> 1 a.out >> > > >>>> * MPI_IN_PLACE does not appear to work as intended. >> > > >>>> * Checking whether MPI_ALLREDUCE works at all. >> > > >>>> * Without MPI_IN_PLACE, MPI_ALLREDUCE appears to work. >> > > >>>> >> > > >>>> Hopefully, no trivial mistakes in the testcase. I just >> spent a few days >> > > >>>> tracing this issue through a fairly large code, which is >> where the issue >> > > >>>> originally arose (and leads to wrong numbers). >> > > >>>> >> > > >>>> Best wishes >> > > >>>> Volker >> > > >>>> >> > > >>>> >> > > >>>> >> > > >>>> >> > > >>>>> On Jul 26, 2017, at 9:46 AM, Gilles Gouaillardet >> > > >>>>> <gilles.gouaillar...@gmail.com >> <mailto:gilles.gouaillar...@gmail.com>> wrote: >> > > >>>>> >> > > >>>>> Volker, >> > > >>>>> >> > > >>>>> i was unable to reproduce this issue on linux >> > > >>>>> >> > > >>>>> can you please post your full configure command line, >> your gnu >> > > >>>>> compiler version and the full test program ? >> > > >>>>> >> > > >>>>> also, how many mpi tasks are you running ? >> > > >>>>> >> > > >>>>> Cheers, >> > > >>>>> >> > > >>>>> Gilles >> > > >>>>> >> > > >>>>> On Wed, Jul 26, 2017 at 4:25 PM, Volker Blum >> <volker.b...@duke.edu <mailto:volker.b...@duke.edu>> wrote: >> > > >>>>>> Hi, >> > > >>>>>> >> > > >>>>>> I tried openmpi-3.0.0rc1.tar.gz using Intel Fortran >> 2017 and gcc on a >> > > >>>>>> current MacOS system. For this version, it seems to me >> that MPI_IN_PLACE >> > > >>>>>> returns incorrect results (while other MPI >> implementations, including some >> > > >>>>>> past OpenMPI versions, work fine). >> > > >>>>>> >> > > >>>>>> This can be seen with a simple Fortran example code, >> shown below. In the >> > > >>>>>> test, the values of all entries of an array “test_data” >> should be 1.0d0 if >> > > >>>>>> the behavior were as intended. However, the version of >> OpenMPI I have >> > > >>>>>> returns 0.d0 instead. >> > > >>>>>> >> > > >>>>>> I’ve seen this behavior on some other compute platforms >> too, in the past, >> > > >>>>>> so it wasn’t new to me. Still, I thought that this >> time, I’d ask. Any >> > > >>>>>> thoughts? >> > > >>>>>> >> > > >>>>>> Thank you, >> > > >>>>>> Best wishes >> > > >>>>>> Volker >> > > >>>>>> >> > > >>>>>> ! size of test data array >> > > >>>>>> integer :: n_data >> > > >>>>>> >> > > >>>>>> ! array that contains test data for MPI_IN_PLACE >> > > >>>>>> real*8, allocatable :: test_data(:) >> > > >>>>>> >> > > >>>>>> integer :: mpierr >> > > >>>>>> >> > > >>>>>> n_data = 10 >> > > >>>>>> >> > > >>>>>> allocate(test_data(n_data),stat=mpierr) >> > > >>>>>> >> > > >>>>>> ! seed test data array for allreduce call below >> > > >>>>>> if (myid.eq.0) then >> > > >>>>>> test_data(:) = 1.d0 >> > > >>>>>> else >> > > >>>>>> test_data(:) = 0.d0 >> > > >>>>>> end if >> > > >>>>>> >> > > >>>>>> ! Sum the test_data array over all MPI tasks >> > > >>>>>> call MPI_ALLREDUCE(MPI_IN_PLACE, & >> > > >>>>>> test_data(:), & >> > > >>>>>> n_data, & >> > > >>>>>> MPI_DOUBLE_PRECISION, & >> > > >>>>>> MPI_SUM, & >> > > >>>>>> mpi_comm_global, & >> > > >>>>>> mpierr ) >> > > >>>>>> >> > > >>>>>> ! The value of all entries of test_data should now be >> 1.d0 on all MPI >> > > >>>>>> tasks. >> > > >>>>>> ! If that is not the case, then the MPI_IN_PLACE flag >> may be broken. >> > > >>>>>> >> > > >>>>>> >> > > >>>>>> >> > > >>>>>> >> > > >>>>>> >> > > >>>>>> >> > > >>>>>> Volker Blum >> > > >>>>>> Associate Professor >> > > >>>>>> Ab Initio Materials Simulations >> > > >>>>>> Duke University, MEMS Department >> > > >>>>>> 144 Hudson Hall, Box 90300, Duke University, Durham, NC >> 27708, USA >> > > >>>>>> >> > > >>>>>> volker.b...@duke.edu <mailto:volker.b...@duke.edu> >> > > >>>>>> https://aims.pratt.duke.edu >> > > >>>>>> +1 (919) 660 5279 <tel:%2B1%20%28919%29%20660%205279> >> > > >>>>>> Twitter: Aimsduke >> > > >>>>>> >> > > >>>>>> Office: 1111 Hudson Hall >> > > >>>>>> >> > > >>>>>> >> > > >>>>>> >> > > >>>>>> >> > > >>>>>> _______________________________________________ >> > > >>>>>> users mailing list >> > > >>>>>> users@lists.open-mpi.org <mailto:users@lists.open-mpi.org> >> > > >>>>>> >> > > >>>>>> >> >> https://urldefense.proofpoint.com/v2/url?u=https-3A__rfd.newmexicoconsortium.org_mailman_listinfo_users&d=DwIGaQ&c=imBPVzF25OnBgGmVOlcsiEgHoG1i6YHLR0Sj_gZ4adc&r=I9QLPu689VeINkpRod6EQfprr_v-FLoLsAuSXIHhDsk&m=QLtQXqnGSkgQnmgI4RxZXa9R6FhMmgj2FLN452Q0Wis&s=BeracGkSHhIyI_bjKJqPHCqMuP-Se2pRmbiNfugkdK8&e= >> >> <https://urldefense.proofpoint.com/v2/url?u=https-3A__rfd.newmexicoconsortium.org_mailman_listinfo_users&d=DwIGaQ&c=imBPVzF25OnBgGmVOlcsiEgHoG1i6YHLR0Sj_gZ4adc&r=I9QLPu689VeINkpRod6EQfprr_v-FLoLsAuSXIHhDsk&m=QLtQXqnGSkgQnmgI4RxZXa9R6FhMmgj2FLN452Q0Wis&s=BeracGkSHhIyI_bjKJqPHCqMuP-Se2pRmbiNfugkdK8&e=> >> > > >>>>> _______________________________________________ >> > > >>>>> users mailing list >> > > >>>>> users@lists.open-mpi.org <mailto:users@lists.open-mpi.org> >> > > >>>>> >> > > >>>>> >> >> https://urldefense.proofpoint.com/v2/url?u=https-3A__rfd.newmexicoconsortium.org_mailman_listinfo_users&d=DwIGaQ&c=imBPVzF25OnBgGmVOlcsiEgHoG1i6YHLR0Sj_gZ4adc&r=I9QLPu689VeINkpRod6EQfprr_v-FLoLsAuSXIHhDsk&m=QLtQXqnGSkgQnmgI4RxZXa9R6FhMmgj2FLN452Q0Wis&s=BeracGkSHhIyI_bjKJqPHCqMuP-Se2pRmbiNfugkdK8&e= >> >> <https://urldefense.proofpoint.com/v2/url?u=https-3A__rfd.newmexicoconsortium.org_mailman_listinfo_users&d=DwIGaQ&c=imBPVzF25OnBgGmVOlcsiEgHoG1i6YHLR0Sj_gZ4adc&r=I9QLPu689VeINkpRod6EQfprr_v-FLoLsAuSXIHhDsk&m=QLtQXqnGSkgQnmgI4RxZXa9R6FhMmgj2FLN452Q0Wis&s=BeracGkSHhIyI_bjKJqPHCqMuP-Se2pRmbiNfugkdK8&e=> >> > > >>>> >> > > >>>> Volker Blum >> > > >>>> Associate Professor >> > > >>>> Ab Initio Materials Simulations >> > > >>>> Duke University, MEMS Department >> > > >>>> 144 Hudson Hall, Box 90300, Duke University, Durham, NC >> 27708, USA >> > > >>>> >> > > >>>> volker.b...@duke.edu <mailto:volker.b...@duke.edu> >> > > >>>> https://aims.pratt.duke.edu >> > > >>>> +1 (919) 660 5279 <tel:%2B1%20%28919%29%20660%205279> >> > > >>>> Twitter: Aimsduke >> > > >>>> >> > > >>>> Office: 1111 Hudson Hall >> > > >>>> >> > > >>>> >> > > >>>> >> > > >>>> >> > > >>>> >> > > >>>> _______________________________________________ >> > > >>>> users mailing list >> > > >>>> users@lists.open-mpi.org <mailto:users@lists.open-mpi.org> >> > > >>>> >> >> https://urldefense.proofpoint.com/v2/url?u=https-3A__rfd.newmexicoconsortium.org_mailman_listinfo_users&d=DwIGaQ&c=imBPVzF25OnBgGmVOlcsiEgHoG1i6YHLR0Sj_gZ4adc&r=I9QLPu689VeINkpRod6EQfprr_v-FLoLsAuSXIHhDsk&m=e9pjil1vV3SDa40dQJww0p-d0LhgyQzX_kPNhmz-oUE&s=Y4hrMiRzNuObkpm0vPojCqr6Cx6uS_wLxNyAfUaBz70&e= >> >> <https://urldefense.proofpoint.com/v2/url?u=https-3A__rfd.newmexicoconsortium.org_mailman_listinfo_users&d=DwIGaQ&c=imBPVzF25OnBgGmVOlcsiEgHoG1i6YHLR0Sj_gZ4adc&r=I9QLPu689VeINkpRod6EQfprr_v-FLoLsAuSXIHhDsk&m=e9pjil1vV3SDa40dQJww0p-d0LhgyQzX_kPNhmz-oUE&s=Y4hrMiRzNuObkpm0vPojCqr6Cx6uS_wLxNyAfUaBz70&e=> >> > > >>> _______________________________________________ >> > > >>> users mailing list >> > > >>> users@lists.open-mpi.org <mailto:users@lists.open-mpi.org> >> > > >>> >> >> https://urldefense.proofpoint.com/v2/url?u=https-3A__rfd.newmexicoconsortium.org_mailman_listinfo_users&d=DwIGaQ&c=imBPVzF25OnBgGmVOlcsiEgHoG1i6YHLR0Sj_gZ4adc&r=I9QLPu689VeINkpRod6EQfprr_v-FLoLsAuSXIHhDsk&m=e9pjil1vV3SDa40dQJww0p-d0LhgyQzX_kPNhmz-oUE&s=Y4hrMiRzNuObkpm0vPojCqr6Cx6uS_wLxNyAfUaBz70&e= >> >> <https://urldefense.proofpoint.com/v2/url?u=https-3A__rfd.newmexicoconsortium.org_mailman_listinfo_users&d=DwIGaQ&c=imBPVzF25OnBgGmVOlcsiEgHoG1i6YHLR0Sj_gZ4adc&r=I9QLPu689VeINkpRod6EQfprr_v-FLoLsAuSXIHhDsk&m=e9pjil1vV3SDa40dQJww0p-d0LhgyQzX_kPNhmz-oUE&s=Y4hrMiRzNuObkpm0vPojCqr6Cx6uS_wLxNyAfUaBz70&e=> >> > > >> >> > > >> Volker Blum >> > > >> Associate Professor >> > > >> Ab Initio Materials Simulations >> > > >> Duke University, MEMS Department >> > > >> 144 Hudson Hall, Box 90300, Duke University, Durham, NC >> 27708, USA >> > > >> >> > > >> volker.b...@duke.edu <mailto:volker.b...@duke.edu> >> > > >> https://aims.pratt.duke.edu >> > > >> +1 (919) 660 5279 <tel:%2B1%20%28919%29%20660%205279> >> > > >> Twitter: Aimsduke >> > > >> >> > > >> Office: 1111 Hudson Hall >> > > >> >> > > >> >> > > >> >> > > >> >> > > >> _______________________________________________ >> > > >> users mailing list >> > > >> users@lists.open-mpi.org <mailto:users@lists.open-mpi.org> >> > > >> >> >> https://urldefense.proofpoint.com/v2/url?u=https-3A__rfd.newmexicoconsortium.org_mailman_listinfo_users&d=DwIGaQ&c=imBPVzF25OnBgGmVOlcsiEgHoG1i6YHLR0Sj_gZ4adc&r=I9QLPu689VeINkpRod6EQfprr_v-FLoLsAuSXIHhDsk&m=HDubxzHgm3hz7-NQfgobz7rkGf0LWBTlGGqdgSoPCC4&s=2D1Arirt92pKR6i2-4KQKZ8YhSnZ2TPkouQQePHvNf0&e= >> >> <https://urldefense.proofpoint.com/v2/url?u=https-3A__rfd.newmexicoconsortium.org_mailman_listinfo_users&d=DwIGaQ&c=imBPVzF25OnBgGmVOlcsiEgHoG1i6YHLR0Sj_gZ4adc&r=I9QLPu689VeINkpRod6EQfprr_v-FLoLsAuSXIHhDsk&m=HDubxzHgm3hz7-NQfgobz7rkGf0LWBTlGGqdgSoPCC4&s=2D1Arirt92pKR6i2-4KQKZ8YhSnZ2TPkouQQePHvNf0&e=> >> > > > _______________________________________________ >> > > > users mailing list >> > > > users@lists.open-mpi.org <mailto:users@lists.open-mpi.org> >> > > > >> >> https://urldefense.proofpoint.com/v2/url?u=https-3A__rfd.newmexicoconsortium.org_mailman_listinfo_users&d=DwIGaQ&c=imBPVzF25OnBgGmVOlcsiEgHoG1i6YHLR0Sj_gZ4adc&r=I9QLPu689VeINkpRod6EQfprr_v-FLoLsAuSXIHhDsk&m=HDubxzHgm3hz7-NQfgobz7rkGf0LWBTlGGqdgSoPCC4&s=2D1Arirt92pKR6i2-4KQKZ8YhSnZ2TPkouQQePHvNf0&e= >> >> <https://urldefense.proofpoint.com/v2/url?u=https-3A__rfd.newmexicoconsortium.org_mailman_listinfo_users&d=DwIGaQ&c=imBPVzF25OnBgGmVOlcsiEgHoG1i6YHLR0Sj_gZ4adc&r=I9QLPu689VeINkpRod6EQfprr_v-FLoLsAuSXIHhDsk&m=HDubxzHgm3hz7-NQfgobz7rkGf0LWBTlGGqdgSoPCC4&s=2D1Arirt92pKR6i2-4KQKZ8YhSnZ2TPkouQQePHvNf0&e=> >> > > >> > > Volker Blum >> > > Associate Professor >> > > Ab Initio Materials Simulations >> > > Duke University, MEMS Department >> > > 144 Hudson Hall, Box 90300, Duke University, Durham, NC 27708, USA >> > > >> > > volker.b...@duke.edu <mailto:volker.b...@duke.edu> >> > > https://aims.pratt.duke.edu >> > > +1 (919) 660 5279 <tel:%2B1%20%28919%29%20660%205279> >> > > Twitter: Aimsduke >> > > >> > > Office: 1111 Hudson Hall >> > > >> > > >> > > >> > > >> > > _______________________________________________ >> > > users mailing list >> > > users@lists.open-mpi.org <mailto:users@lists.open-mpi.org> >> > > >> https://urldefense.proofpoint.com/v2/url?u=https-3A__rfd.newmexicoconsortium.org_mailman_listinfo_users&d=DwIGaQ&c=imBPVzF25OnBgGmVOlcsiEgHoG1i6YHLR0Sj_gZ4adc&r=I9QLPu689VeINkpRod6EQfprr_v-FLoLsAuSXIHhDsk&m=0X7DUjFfbjVVpI_r3F9MFV4Cs6DpbwqBCobJBfWB-DI&s=i7T7XLEvUGLBfkNjzFjixk1JmT_QB0nGMM2j_uhDWyQ&e= >> >> <https://urldefense.proofpoint.com/v2/url?u=https-3A__rfd.newmexicoconsortium.org_mailman_listinfo_users&d=DwIGaQ&c=imBPVzF25OnBgGmVOlcsiEgHoG1i6YHLR0Sj_gZ4adc&r=I9QLPu689VeINkpRod6EQfprr_v-FLoLsAuSXIHhDsk&m=0X7DUjFfbjVVpI_r3F9MFV4Cs6DpbwqBCobJBfWB-DI&s=i7T7XLEvUGLBfkNjzFjixk1JmT_QB0nGMM2j_uhDWyQ&e= >> > >> > > >> > > _______________________________________________ >> > > users mailing list >> > > users@lists.open-mpi.org <mailto:users@lists.open-mpi.org> >> > > >> >> https://urldefense.proofpoint.com/v2/url?u=https-3A__rfd.newmexicoconsortium.org_mailman_listinfo_users&d=DwICAg&c=imBPVzF25OnBgGmVOlcsiEgHoG1i6YHLR0Sj_gZ4adc&r=I9QLPu689VeINkpRod6EQfprr_v-FLoLsAuSXIHhDsk&m=4W_1_DI3QU9PRT2fhTXyUeXiu7HvTSNzX48E-9ifoTc&s=i3f7Olcbyor4Pu0hv6YlgO10cJ_XvOR13zZn7PPIGto&e= >> >> <https://urldefense.proofpoint.com/v2/url?u=https-3A__rfd.newmexicoconsortium.org_mailman_listinfo_users&d=DwICAg&c=imBPVzF25OnBgGmVOlcsiEgHoG1i6YHLR0Sj_gZ4adc&r=I9QLPu689VeINkpRod6EQfprr_v-FLoLsAuSXIHhDsk&m=4W_1_DI3QU9PRT2fhTXyUeXiu7HvTSNzX48E-9ifoTc&s=i3f7Olcbyor4Pu0hv6YlgO10cJ_XvOR13zZn7PPIGto&e=> >> > >> > Volker Blum >> > Associate Professor >> > Ab Initio Materials Simulations >> > Duke University, MEMS Department >> > 144 Hudson Hall, Box 90300, Duke University, Durham, NC 27708, USA >> > >> > volker.b...@duke.edu <mailto:volker.b...@duke.edu> >> > https://aims.pratt.duke.edu >> > +1 (919) 660 5279 <tel:%2B1%20%28919%29%20660%205279> >> > Twitter: Aimsduke >> > >> > Office: 1111 Hudson Hall >> > >> > >> > >> > >> > _______________________________________________ >> > users mailing list >> > users@lists.open-mpi.org <mailto:users@lists.open-mpi.org> >> > >> https://urldefense.proofpoint.com/v2/url?u=https-3A__rfd.newmexicoconsortium.org_mailman_listinfo_users&d=DwIGaQ&c=imBPVzF25OnBgGmVOlcsiEgHoG1i6YHLR0Sj_gZ4adc&r=I9QLPu689VeINkpRod6EQfprr_v-FLoLsAuSXIHhDsk&m=0X7DUjFfbjVVpI_r3F9MFV4Cs6DpbwqBCobJBfWB-DI&s=i7T7XLEvUGLBfkNjzFjixk1JmT_QB0nGMM2j_uhDWyQ&e= >> >> <https://urldefense.proofpoint.com/v2/url?u=https-3A__rfd.newmexicoconsortium.org_mailman_listinfo_users&d=DwIGaQ&c=imBPVzF25OnBgGmVOlcsiEgHoG1i6YHLR0Sj_gZ4adc&r=I9QLPu689VeINkpRod6EQfprr_v-FLoLsAuSXIHhDsk&m=0X7DUjFfbjVVpI_r3F9MFV4Cs6DpbwqBCobJBfWB-DI&s=i7T7XLEvUGLBfkNjzFjixk1JmT_QB0nGMM2j_uhDWyQ&e= >> > >> > >> > _______________________________________________ >> > users mailing list >> > users@lists.open-mpi.org <mailto:users@lists.open-mpi.org> >> > >> >> https://urldefense.proofpoint.com/v2/url?u=https-3A__rfd.newmexicoconsortium.org_mailman_listinfo_users&d=DwICAg&c=imBPVzF25OnBgGmVOlcsiEgHoG1i6YHLR0Sj_gZ4adc&r=I9QLPu689VeINkpRod6EQfprr_v-FLoLsAuSXIHhDsk&m=h6zBsOI45o8fovfy43A2FyCt-fL_yVpNbVSf1OA8CrQ&s=YNADyKbvRnxPmnDVmVlYmsYgZEr8m-etPBXLHPRkflw&e= >> >> <https://urldefense.proofpoint.com/v2/url?u=https-3A__rfd.newmexicoconsortium.org_mailman_listinfo_users&d=DwICAg&c=imBPVzF25OnBgGmVOlcsiEgHoG1i6YHLR0Sj_gZ4adc&r=I9QLPu689VeINkpRod6EQfprr_v-FLoLsAuSXIHhDsk&m=h6zBsOI45o8fovfy43A2FyCt-fL_yVpNbVSf1OA8CrQ&s=YNADyKbvRnxPmnDVmVlYmsYgZEr8m-etPBXLHPRkflw&e=> >> >> Volker Blum >> Associate Professor >> Ab Initio Materials Simulations >> Duke University, MEMS Department >> 144 Hudson Hall, Box 90300, Duke University, Durham, NC 27708, USA >> >> volker.b...@duke.edu <mailto:volker.b...@duke.edu> >> https://aims.pratt.duke.edu >> +1 (919) 660 5279 <tel:%2B1%20%28919%29%20660%205279> >> Twitter: Aimsduke >> >> Office: 1111 Hudson Hall >> >> >> >> >> _______________________________________________ >> users mailing list >> users@lists.open-mpi.org <mailto:users@lists.open-mpi.org> >> >> https://urldefense.proofpoint.com/v2/url?u=https-3A__rfd.newmexicoconsortium.org_mailman_listinfo_users&d=DwIGaQ&c=imBPVzF25OnBgGmVOlcsiEgHoG1i6YHLR0Sj_gZ4adc&r=I9QLPu689VeINkpRod6EQfprr_v-FLoLsAuSXIHhDsk&m=0X7DUjFfbjVVpI_r3F9MFV4Cs6DpbwqBCobJBfWB-DI&s=i7T7XLEvUGLBfkNjzFjixk1JmT_QB0nGMM2j_uhDWyQ&e= >> >> <https://urldefense.proofpoint.com/v2/url?u=https-3A__rfd.newmexicoconsortium.org_mailman_listinfo_users&d=DwIGaQ&c=imBPVzF25OnBgGmVOlcsiEgHoG1i6YHLR0Sj_gZ4adc&r=I9QLPu689VeINkpRod6EQfprr_v-FLoLsAuSXIHhDsk&m=0X7DUjFfbjVVpI_r3F9MFV4Cs6DpbwqBCobJBfWB-DI&s=i7T7XLEvUGLBfkNjzFjixk1JmT_QB0nGMM2j_uhDWyQ&e= >> > >> >> >> >> >> _______________________________________________ >> users mailing list >> users@lists.open-mpi.org >> https://urldefense.proofpoint.com/v2/url?u=https-3A__rfd.newmexicoconsortium.org_mailman_listinfo_users&d=DwIGaQ&c=imBPVzF25OnBgGmVOlcsiEgHoG1i6YHLR0Sj_gZ4adc&r=I9QLPu689VeINkpRod6EQfprr_v-FLoLsAuSXIHhDsk&m=0X7DUjFfbjVVpI_r3F9MFV4Cs6DpbwqBCobJBfWB-DI&s=i7T7XLEvUGLBfkNjzFjixk1JmT_QB0nGMM2j_uhDWyQ&e= >> > > _______________________________________________ > users mailing list > users@lists.open-mpi.org > https://urldefense.proofpoint.com/v2/url?u=https-3A__rfd.newmexicoconsortium.org_mailman_listinfo_users&d=DwIGaQ&c=imBPVzF25OnBgGmVOlcsiEgHoG1i6YHLR0Sj_gZ4adc&r=I9QLPu689VeINkpRod6EQfprr_v-FLoLsAuSXIHhDsk&m=0X7DUjFfbjVVpI_r3F9MFV4Cs6DpbwqBCobJBfWB-DI&s=i7T7XLEvUGLBfkNjzFjixk1JmT_QB0nGMM2j_uhDWyQ&e= Volker Blum Associate Professor Ab Initio Materials Simulations Duke University, MEMS Department 144 Hudson Hall, Box 90300, Duke University, Durham, NC 27708, USA volker.b...@duke.edu https://aims.pratt.duke.edu +1 (919) 660 5279 Twitter: Aimsduke Office: 1111 Hudson Hall _______________________________________________ users mailing list users@lists.open-mpi.org https://rfd.newmexicoconsortium.org/mailman/listinfo/users
