[QE-users] QE compilation for Mac with Intel processor

[Kliavinek, Sergei]

Hey, 
Does anybody have any ideas on this problem?

Best, 
Sergei

> On Sep 13, 2023, at 10:17 AM, Kliavinek, Sergei <skliavin at caltech.edu> wrote:
> 
> Dear QE developers, 
> 
> I compile QE inside Docker, which I run on several computers, including a Mac with an Intel processor. I manage to configure and compile pw.x, however, I get the following on running it:
> 
> forrtl: severe (168): Program Exception - illegal instruction
> Image              PC                Routine            Line        Source
> libc.so.6          00007F8B5581A520  Unknown               Unknown  Unknown
> libmpi.so.12.0.0   00007F8B565EE77F  MPL_wtime_init        Unknown  Unknown
> libmpi.so.12.0.0   00007F8B565DDDFA  MPL_dbg_pre_init      Unknown  Unknown
> libmpi.so.12.0.0   00007F8B55EA1315  Unknown               Unknown  Unknown
> libmpi.so.12.0.0   00007F8B55EA0D1B  MPI_Init              Unknown  Unknown
> libmpifort.so.12.  00007F8B574EC85B  PMPI_INIT             Unknown  Unknown
> pw.x               0000000000AAD538  Unknown               Unknown  Unknown
> pw.x               0000000000AACFF6  Unknown               Unknown  Unknown
> pw.x               0000000000407AB5  Unknown               Unknown  Unknown
> pw.x               0000000000407A5D  Unknown               Unknown  Unknown
> libc.so.6          00007F8B55801D90  Unknown               Unknown  Unknown
> libc.so.6          00007F8B55801E40  __libc_start_main     Unknown  Unknown
> pw.x               0000000000407975  Unknown               Unknown  Unknown
> 
> Here is the configuration command I am using:
> 
> ./configure CFLAGS=-O3 FFLAGS=-O3 F90=ifort MPIF90=mpiifort --with-hdf5="/opt/hdf5"
> I've also tried to add arguments  -host=mac686, ARCH="mac686", and this command:
> ./configure CFLAGS=-O3 FFLAGS=-O3
> 
> But also obtained the same result. 
> 
> However, If directly disable parallelizaton:
> 
> ./configure CFLAGS=-O3 FFLAGS=-O3 --disable-parallel
> 
> Everything works fine. 
> What could be the problem?
> 
> P.S. I use intel toolkit as a base image:
> FROM intel/oneapi-hpckit:2023.0.0-devel-ubuntu22.04
> 
> Best, 
> Sergei