[Wien] lapw2 MPI error for mBJ calculations in 24.1
Peter Blaha
peter.blaha at tuwien.ac.at
Fri Jun 6 09:47:51 CEST 2025
Thanks for your report.
For some unknown reasons the patch did not make it into the new version.
It is of course correct to apply it.
Best regards
Peter Blaha
Am 06.06.2025 um 00:10 schrieb Straus, Daniel B:
> Following up on this, I looked through the code, and it looks like the
> patch for this issue in 23.2 did not make it into 24.1: https://
> github.com/gsabo/WIEN2k-Patches/blob/master/23.2/l2main.patch <https://
> github.com/gsabo/WIEN2k-Patches/blob/master/23.2/l2main.patch>
>
> I was not sure if other changes were made to l2main.F in 24.1 that would
> cause issues for the patch file, so I manually applied the changes in
> the patch and I no longer get the MPI error.
>
> Daniel Straus
>
> Assistant Professor
>
> Department of Chemistry
>
> Tulane University
>
> 5088 Percival Stern Hall
>
> 6400 Freret Street
>
> New Orleans, LA 70118
>
> (504) 862-3585
>
> http://straus.tulane.edu/ <http://straus.tulane.edu/>
>
> *From:*Straus, Daniel B
> *Sent:* Thursday, June 5, 2025 2:34 PM
> *To:* wien at zeus.theochem.tuwien.ac.at
> *Subject:* lapw2 MPI error for mBJ calculations in 24.1
>
> Hi,
>
> I am running version 24.1 and am encountering the same MPI crash that
> was discussed in this listserv entry from last year, where a bug in
> version 23.2 was discovered related to lapw2 -tau and a patch was made:
> http://zeus.theochem.tuwien.ac.at/pipermail/wien/2023-June/033228.html
> <http://zeus.theochem.tuwien.ac.at/pipermail/wien/2023-June/033228.html>
>
> Was this patch incorporated into version 24.1? If not, what do I need to
> update so parallel LAPW2 successfully completes after running init_mbj_lapw?
>
> Below is my STDOUT from a 6 node job, in case it is relevant. I get the
> same MPI error whether I use run_lapw -NI -i 1 -p or run_lapw -i 1 -p
> (no -NI).
>
> Sincerely,
>
> Daniel
>
> STDOUT:
>
> LAPW1 END
>
> LAPW1 END
>
> LAPW1 END
>
> LAPW1 END
>
> LAPW1 END
>
> LAPW1 END
>
> LAPW2 - FERMI; weights written
>
> Fatal error in MPI_Recv: Message truncated, error stack:
>
> MPI_Recv(204).......................: MPI_Recv(buf=0x7ffffffeece8,
> count=1, MPI_INTEGER, src=1, tag=MPI_ANY_TAG, comm=0x8400
>
> 0001, status=0x872870) failed
>
> MPIDI_CH3U_Request_unpack_uebuf(624): Message truncated; 3000 bytes
> received but buffer size is 4
>
> w2k_dispatch_signal(): received: Interrupt
>
> w2k_dispatch_signal(): received: Interrupt
>
> w2k_dispatch_signal(): received: Interrupt
>
> application called MPI_Abort(MPI_COMM_WORLD, -1335127744) - process 3
>
> application called MPI_Abort(MPI_COMM_WORLD, -1335127744) - process 1
>
> application called MPI_Abort(MPI_COMM_WORLD, -1335127744) - process 2
>
> Fatal error in MPI_Recv: Message truncated, error stack:
>
> MPI_Recv(204).......................: MPI_Recv(buf=0x7ffffffeece8,
> count=1, MPI_INTEGER, src=1, tag=MPI_ANY_TAG, comm=0x8400
>
> 0001, status=0x872870) failed
>
> MPIDI_CH3U_Request_unpack_uebuf(624): Message truncated; 3000 bytes
> received but buffer size is 4
>
> w2k_dispatch_signal(): received: Interrupt
>
> w2k_dispatch_signal(): received: Interrupt
>
> w2k_dispatch_signal(): received: Interrupt
>
> application called MPI_Abort(MPI_COMM_WORLD, -1335127744) - process 1
>
> application called MPI_Abort(MPI_COMM_WORLD, -1335127744) - process 2
>
> application called MPI_Abort(MPI_COMM_WORLD, -1335127744) - process 3
>
> Fatal error in MPI_Recv: Message truncated, error stack:
>
> MPI_Recv(204).......................: MPI_Recv(buf=0x7ffffffeece8,
> count=1, MPI_INTEGER, src=1, tag=MPI_ANY_TAG, comm=0x8400
>
> 0001, status=0x872870) failed
>
> MPIDI_CH3U_Request_unpack_uebuf(624): Message truncated; 3000 bytes
> received but buffer size is 4
>
> w2k_dispatch_signal(): received: Interrupt
>
> w2k_dispatch_signal(): received: Interrupt
>
> w2k_dispatch_signal(): received: Interrupt
>
> application called MPI_Abort(MPI_COMM_WORLD, -1335127744) - process 3
>
> application called MPI_Abort(MPI_COMM_WORLD, -1335127744) - process 2
>
> application called MPI_Abort(MPI_COMM_WORLD, -1335127744) - process 1
>
> Fatal error in MPI_Recv: Message truncated, error stack:
>
> MPI_Recv(204).......................: MPI_Recv(buf=0x7ffffffeece8,
> count=1, MPI_INTEGER, src=1, tag=MPI_ANY_TAG, comm=0x8400
>
> 0001, status=0x872870) failed
>
> MPIDI_CH3U_Request_unpack_uebuf(624): Message truncated; 3000 bytes
> received but buffer size is 4
>
> w2k_dispatch_signal(): received: Interrupt
>
> w2k_dispatch_signal(): received: Interrupt
>
> w2k_dispatch_signal(): received: Interrupt
>
> application called MPI_Abort(MPI_COMM_WORLD, -1335127744) - process 3
>
> application called MPI_Abort(MPI_COMM_WORLD, -1335127744) - process 1
>
> application called MPI_Abort(MPI_COMM_WORLD, -1335127744) - process 2
>
> Fatal error in MPI_Recv: Message truncated, error stack:
>
> MPI_Recv(204).......................: MPI_Recv(buf=0x7ffffffeece8,
> count=1, MPI_INTEGER, src=1, tag=MPI_ANY_TAG, comm=0x8400
>
> 0001, status=0x872870) failed
>
> MPIDI_CH3U_Request_unpack_uebuf(624): Message truncated; 3000 bytes
> received but buffer size is 4
>
> w2k_dispatch_signal(): received: Interrupt
>
> w2k_dispatch_signal(): received: Interrupt
>
> w2k_dispatch_signal(): received: Interrupt
>
> application called MPI_Abort(MPI_COMM_WORLD, -1335127744) - process 3
>
> application called MPI_Abort(MPI_COMM_WORLD, -1335127744) - process 1
>
> application called MPI_Abort(MPI_COMM_WORLD, -1335127744) - process 2
>
> Fatal error in MPI_Recv: Message truncated, error stack:
>
> MPI_Recv(204).......................: MPI_Recv(buf=0x7ffffffeece8,
> count=1, MPI_INTEGER, src=1, tag=MPI_ANY_TAG, comm=0x8400
>
> 0001, status=0x872870) failed
>
> MPIDI_CH3U_Request_unpack_uebuf(624): Message truncated; 3000 bytes
> received but buffer size is 4
>
> w2k_dispatch_signal(): received: Interrupt
>
> w2k_dispatch_signal(): received: Interrupt
>
> w2k_dispatch_signal(): received: Interrupt
>
> application called MPI_Abort(MPI_COMM_WORLD, -1335127744) - process 2
>
> application called MPI_Abort(MPI_COMM_WORLD, -1335127744) - process 1
>
> application called MPI_Abort(MPI_COMM_WORLD, -1335127744) - process 3
>
> cp: cannot stat `.in.tmp': No such file or directory
>
>> stop error
>
> Daniel Straus
>
> Assistant Professor
>
> Department of Chemistry
>
> Tulane University
>
> 5088 Percival Stern Hall
>
> 6400 Freret Street
>
> New Orleans, LA 70118
>
> (504) 862-3585
>
> http://straus.tulane.edu/ <http://straus.tulane.edu/>
>
>
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--
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Peter Blaha, Inst. f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-158801165300
Email: peter.blaha at tuwien.ac.at
WWW: http://www.imc.tuwien.ac.at WIEN2k: http://www.wien2k.at
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