Thanks! If you wish, please also keep me posted.
Best wishes Volker > On Jul 27, 2017, at 7:50 AM, Gilles Gouaillardet > <gilles.gouaillar...@gmail.com> wrote: > > Thanks Jeff for your offer, i will contact you off-list later > > > i tried a gcc+gfortran and gcc+ifort on both linux and OS X > so far, only gcc+ifort on OS X is failing > i will try icc+ifort on OS X from now > > short story, MPI_IN_PLACE is not recognized as such by the ompi > fortran wrapper, and i do not know why. > > the attached program can be used to evidence the issue. > > > Cheers, > > Gilles > > On Thu, Jul 27, 2017 at 2:15 PM, Volker Blum <volker.b...@duke.edu> wrote: >> 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> >>>>>>>>>>>> >>>>>>>>>>>> >>>> >>>> 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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://urldefense.proofpoint.com/v2/url?u=https-3A__rfd.newmexicoconsortium.org_mailman_listinfo_users&d=DwIFaQ&c=imBPVzF25OnBgGmVOlcsiEgHoG1i6YHLR0Sj_gZ4adc&r=I9QLPu689VeINkpRod6EQfprr_v-FLoLsAuSXIHhDsk&m=h3HNno_BCKRMuxrZ26zNcyS_JTV7oDefvQtaN7NF3Kk&s=ENCO2vndR26kHOuem57zq1jvk1Tl1ftPBQKcQ2xIpwQ&e= >> > <test_constants.f90>_______________________________________________ > users mailing list > 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=h3HNno_BCKRMuxrZ26zNcyS_JTV7oDefvQtaN7NF3Kk&s=ENCO2vndR26kHOuem57zq1jvk1Tl1ftPBQKcQ2xIpwQ&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
