Does this happen with ifort but not other Fortran compilers? If so, write me off-list if there's a need to report a compiler issue.
Jeff On Wed, Jul 26, 2017 at 6:59 PM 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://rfd.newmexicoconsortium.org/mailman/listinfo/users > > <https://rfd.newmexicoconsortium.org/mailman/listinfo/users> > > > > > > > > _______________________________________________ > > > > 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://rfd.newmexicoconsortium.org/mailman/listinfo/users > > <https://rfd.newmexicoconsortium.org/mailman/listinfo/users> > > > > > > _______________________________________________ > > > 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://rfd.newmexicoconsortium.org/mailman/listinfo/users > > <https://rfd.newmexicoconsortium.org/mailman/listinfo/users> > > > > > > > > > > _______________________________________________ > > users mailing list > > users@lists.open-mpi.org > > https://rfd.newmexicoconsortium.org/mailman/listinfo/users > > _______________________________________________ > users mailing list > users@lists.open-mpi.org > https://rfd.newmexicoconsortium.org/mailman/listinfo/users -- Jeff Hammond jeff.scie...@gmail.com http://jeffhammond.github.io/
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