Intel Fortran Compiler

[ilya]

Hi!

For me intel 11 seem to work fine.
Try compiling without optimizations. Intel says that building with
such optims (-xW) on non intel cpus is not a good idea.

Ilya.

On Dec 19, 3:01 pm, Jörg Saßmannshausen
<jorg.sassm... at strath.ac.uk> wrote:
> Dear all,
>
> I have tried to build cp2k with the latest intel fortran compiler
> (11.0.074), using the suggested compiler flags (-O2 -xW -funroll-loops
> -fpp -free -mtune=core2) (the -mtune=core2 is a suggestion from Axel).
> Whereas I can build the binaries for the sopt and popt, running the
> H20-32.inp failes with the popt binary:
>
> GENERATE|  Number of 1-4 interactions generated:
>        0
>   *
>   *** 13:13:27 ERRORL2 in topology_util:reorder_structure1d processor
>      ***
>   *** 0  err=-300  condition FAILED at line 892
>      ***
>   *
>
>   ===== Routine Calling Stack =====
>
>              5 topology_molecules_check
>              4 connectivity_control
>              3 topology_control
>              2 quickstep_create_force_env
>              1 CP2K
>   CP2K| condition FAILED at line 892
>   CP2K| Abnormal program termination, stopped by process number 0
> [op22tut:19247] MPI_ABORT invoked on rank 0 in communicator
> MPI_COMM_WORLD with errorcode 1
>
> Going back to compiler version 10.1.021 solved that problem, so I am
> sticking with that test version and run the test suite over xmas.
>
> I thought I let you know about that so you are aware of that pitfall. My
> szstem here: dual Dual-Core AMD Opteron(tm) Processor 2212, Suse Linux
> (64bit) installed, with gcc4.1.
>
> Best wishes from Glasgow
>
> Jörg