I'm having trouble running the abinit (8.10.2) executable (electronic structure program; www.abinit.org) after compiling with the Intel 19 Update 3 compilers and with MPI enabled (64 bit intel linux).
If I compile with either the gnu tools or the Intel tools (icc, ifort), and without MPI enabled, I can directly run the abinit executable with no errors.
If I compile with the gnu tools and MPI enabled (using openmpi), I can still run the abinit executable direclty (without using mpirun) without errors.
If I compile with the Intel tools (mpiicc, mpiifort) and MPI enabled (using intel MPI), and then try to run the abinit executable directly (without mpirun), then it fails with the following error when trying to read in the input file (t01.input):
abinit < t01.input > OUT-traceback
forrtl: severe (24): end-of-file during read, unit 5, file /proc/26824/fd/0
Image PC Routine Line Source
libifcoremt.so.5 00007F0847FAC7B6 for__io_return Unknown Unknown
libifcoremt.so.5 00007F0847FEAC00 for_read_seq_fmt Unknown Unknown
abinit 000000000187BC1F m_dtfil_mp_iofn1_ 1363 m_dtfil.F90
abinit 0000000000407C49 MAIN__ 251 abinit.F90
abinit 0000000000407942 Unknown Unknown Unknown
libc-2.27.so 00007F08459E4B97 __libc_start_main Unknown Unknown
abinit 000000000040782A Unknown Unknown Unknown
If I compile with the Intel tools and MPI enabled and run the abinit executable with "mpirun -np 1 abinit < t01.input > OUT-traceback" then reading the input file succeeds.
Running the MPI enabled executable without mpirun succeeds when compiled with the gnu tools, but not when compiled with the intel tools.
A colleague of mine compiled abinit with MPI enabled using the Intel 17 compiler and IS able to run the abinit executable without mpirun.
I am using Intel Parallel Studio XE Cluster Edition Update 3 and source psxevars.sh to set the environment before compiling/running with intel. The output of mpiifort -V is:
Intel(R) Fortran Intel(R) 64 Compiler for applications running on Intel(R) 64, Version 22.214.171.124 Build 20190206
Copyright (C) 1985-2019 Intel Corporation. All rights reserved.
Any ideas on what is causing this forrtl crash?
Thanks for any suggestions.