Update: > I have yet to run a full regression test on our actual code to ensure that > there are no other side effects. I don’t expect any, though.
Indeed. Fixes all regressions that I had observed. Best wishes Volker > On Jul 27, 2017, at 11:47 AM, Volker Blum <volker.b...@duke.edu> wrote: > > Dear Gilles, > > Thank you! Indeed, this appears to address the issue in my test. > > I have yet to run a full regression test on our actual code to ensure that > there are no other side effects. I don’t expect any, though. > > ** > > Interestingly, removing '-lmpi_usempif08 -lmpi_usempi_ignore_tkr’ actually > fixes a second regression that I had found only last night and not yet > reported. > > Specifically, I have a very well tested mpi_alltoallv call (part of our > standard regression tests). Versions of this exact call live in multiple > codes, including libraries. With the unpatched OpenMPI version on the same > macbook and in a specific case, this suddenly resulted in: > > [egr-vwb3-mbp2:3573] *** An error occurred in MPI_Alltoallv > [egr-vwb3-mbp2:3573] *** reported by process [1710358529,0] > [egr-vwb3-mbp2:3573] *** on communicator MPI COMMUNICATOR 7 SPLIT FROM 0 > [egr-vwb3-mbp2:3573] *** MPI_ERR_TRUNCATE: message truncated > [egr-vwb3-mbp2:3573] *** MPI_ERRORS_ARE_FATAL (processes in this communicator > will now abort, > [egr-vwb3-mbp2:3573] *** and potentially your MPI job) > [egr-vwb3-mbp2.local:03572] 1 more process has sent help message > help-mpi-errors.txt / mpi_errors_are_fatal > [egr-vwb3-mbp2.local:03572] Set MCA parameter "orte_base_help_aggregate" to 0 > to see all help / error messages > > This regression is also fixed. > > I do not have a simple test case for this behavior yet since I was still > investigating it. My plan was to create a test case, but extracting such a > case from the larger code we have is more difficult. > > I can still try to create a test case for this as well but I’ll be watching > with great interest if the earlier MPI_IN_PLACE regression can be nailed down > and fixed in a more general way. Perhaps the two are related. > > Thanks again, > Best wishes > Volker > >> On Jul 27, 2017, at 10:46 AM, Gilles Gouaillardet <gil...@rist.or.jp> wrote: >> >> Volker, >> >> >> since you are only using >> >> include 'mpif.h' >> >> >> a workaround is you edit your /.../share/openmpi/mpifort-wrapper-data.txt >> and simply remove '-lmpi_usempif08 -lmpi_usempi_ignore_tkr' >> >> >> Cheers, >> >> Gilles >> >> On 7/27/2017 3:28 PM, Volker Blum wrote: >>> 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://urldefense.proofpoint.com/v2/url?u=https-3A__rfd.newmexicoconsortium.org_mailman_listinfo_users&d=DwIGaQ&c=imBPVzF25OnBgGmVOlcsiEgHoG1i6YHLR0Sj_gZ4adc&r=I9QLPu689VeINkpRod6EQfprr_v-FLoLsAuSXIHhDsk&m=_NZvZhsoGaDbJEC8nwG5oDMiMtSi6cOdtsEboB-uXKQ&s=gVgnzXkfNMEN3UwBtvjPBhrTJPNJs2ty-7pEpHKvImI&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=_NZvZhsoGaDbJEC8nwG5oDMiMtSi6cOdtsEboB-uXKQ&s=gVgnzXkfNMEN3UwBtvjPBhrTJPNJs2ty-7pEpHKvImI&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=DwIGaQ&c=imBPVzF25OnBgGmVOlcsiEgHoG1i6YHLR0Sj_gZ4adc&r=I9QLPu689VeINkpRod6EQfprr_v-FLoLsAuSXIHhDsk&m=W7rZfrifaK6ckq8le_u6DtgDRCh4aktkT3ZXaCDnTNk&s=QohFSlUihCo0BvXuDZPf_a3bHR1j3UGdY-55Qr13SMc&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
