CP2K compilation errors

[Eric Shamay]

Okay, I've got the openmpi 1.2 and recompiling BLACS, ATLAS, and
scalapack. So far BLACS and ATLAS have not complained or failed any
tests, and scalapack is recompiling using the updated libraries of the
former two.

The MPI errors are as follows:

#
# Error message from popt when running mpirun -np 8 cp2k.popt traj.inp
> traj.out &
#
#[optix:02952] [ 1] /usr/local/packages/openmpi/1.2_intel-9.1/lib/
libmpi.so.0 [0x200000000023dc10]
#[optix:02952] [ 2] /usr/local/packages/openmpi/1.2_intel-9.1/lib/
libmpi.so.0(MPI_Comm_size-0xc09e50) [0x200000000023da20]
#[optix:02952] [ 3] cp2k.popt(Cblacs_pinfo+0x200000000147ccd0)
[0x40000000022c4550]
#[optix:02952] [ 4] cp2k.popt(blacs_gridmap_+0x20000000014a5d00)
[0x40000000022ed590]
#[optix:02952] [ 5] cp2k.popt(blacs_gridinit_+0x20000000014a5b20)
[0x40000000022ed3c0]
#[optix:02952] [ 6] cp2k.popt(cp_blacs_calls_mp_cp_blacs_gridinit_
+0x1fffffffff40e6d0) [0x4000000000255f80]
#[optix:02952] [ 7] cp2k.popt(cp_blacs_env_mp_cp_blacs_env_create_
+0x1fffffffff40fa30) [0x40000000002572f0]
#[optix:02952] [ 8] cp2k.popt(qs_environment_types_mp_init_qs_env_
+0x20000000002b2320) [0x40000000010f9bf0]
#[optix:02952] [ 9] cp2k.popt(qs_environment_types_mp_qs_env_create_
+0x20000000002ab940) [0x40000000010f3220]
#[optix:02952] [10] cp2k.popt(qs_main_mp_quickstep_create_force_env_
+0x200000000059bcc0) [0x40000000013e35b0]
#[optix:02952] [11] cp2k.popt(f77_interface_mp_create_force_env_
+0x1fffffffff6e2d20) [0x400000000052a620]
#[optix:02952] [12] cp2k.popt(cp2k_runs_mp_cp2k_run_
+0x1fffffffff402ef0) [0x400000000024a800]
#[optix:02952] [13] cp2k.popt(cp2k_runs_mp_run_input_
+0x1fffffffff406370) [0x400000000024dc90]
#[optix:02952] [14] cp2k.popt(MAIN__+0x2000000000de76f0)
[0x4000000001c2f020]
#[optix:02952] [15] cp2k.popt(main+0x1fffffffff22a7e0)
[0x400000000006de80]
#[optix:02952] [16] /lib/tls/libc.so.6.1(__libc_start_main-0x4d9cf0)
[0x200000000096dc50]
#[optix:02952] [17] cp2k.popt(_start+0x1fffffffff226270)
[0x400000000006dbc0]
#[optix:02952] *** End of error message ***
#


The errors do point to BLACS, so I hope this will work. I didn't
realize that I'd have to go back in the recompiling-tree and redo each
component everytime I update a lower component (in this case, mpi).
Thanks for the heads up, I'll take note of what each was compiled
against for records from now on.

Why is it that cp2k is so touchy with regards to minor version changes
in the mpi routines? Do mpi libraries deprecate calls from earlier
versions?