ABINIT Discussion Forums

Hello,

My system specification:
Intel 980X hexacore
12GB RAM
NVIDIA 480M GPU
Intel Compiler 11.1
(Also using MPICH2)
OpenSUSE 11.3 x64 with kernel 2.6.34

Before compiling, I did:
export CC=mpicc
export CXX=mpicxx
export FC=mpif90

When I try to compile with the following command:
./configure --enable-gpu="yes" --with-gpu-flavor="cuda-double" --with-gpu-incs="-I/usr/local/cuda/include" --with-gpu-libs="-L/usr/local/cuda/lib64 -lcublas -lcufft -lcudart" --with-gpu-cppflags="" --with-gpu-cflags="" --with-gpu-ldflags="" --enable-mpi="yes" --with-mpi-incs="-I/home/farid/mpi/include" --with-mpi-libs="-L/home/farid/mpi/libs -lmpi" --with-mpi-level="2" MPI_RUNNER="/usr/local/bin/mpiexec" --enable-64bit--flags="yes"

The "make" command will stop with error:
compilation aborted for wvl_utils.F90 (code 1)

Right above that, I think the specific errors are:
wvl_utils.F90(97) error #6460: This is not a field name that is defined in the encompassing structure. [LFRZTYP]
allocate(dtse%wvl%atoms%lfrztyp(dtset%natom))
----------------------------------------^
wvl_utils.F90(98) error #6303: The assignment operation or the binary expression operation is invalid for the data types of the two operands.
dtset%wvl%atoms%lfrztyp= .false.
-----------------------------------------^


This is all happening as the compiler is in the ~abinit-6.6.1/src/53_abiutil. What can I do? Please help.

Hello f4ding,

What's not very clear for me is mpi properly detected by the configuration step i.e. what seems odd to me is
x having different directories for mpi and its runner
x defining -lmpi as the only lib ... I would expect something like -lmpichf90 -lmpich -lopa -lmpl for mpich2

So why don't you use --with-mpi-prefix=/home/farid/mpi" (and get rid of mpi related incs, libs, CC, FC, CXX, RUNNER, etc) and let configure to find out the right options? Maybe try first without he GPU stuff (I would not break my head on it except for BigDFT developments).

Anyway if it doesn't work, I would like to see what's in config.log and config.dump

Kind regards,

Alain

Hello,

Thank you for the suggestion. I tried the config:
./config --enable-mpi="yes" --enable-mpi-io="yes" --with-mpi-prefix="/home/farid/mpi" --enable-64bit-flags="yes" --with-mpi-level="1"

"make" also fails at the same stage.

I have attached the config.log and config.dump

Why --with-mpi-level="1" ? Not needed and probably conflicting with MPI-IO so please remove to use the default.
Did you get rid of the extra environment vars; they conflict with mpi-prefix i.e.

Be sure to have working compiler i.e.

Did you clean the build tree between attempts i.e.

Alain

If I remove the --with-mpi-level="1", the same error occurs.

I also start over everytime I try to compile (unset or open new console, delete temp abinit directory, and unpack again).

Maybe my source is bad. I'm going to download again and see whether that will help.

Well, I tried downloading the source again. Still would not compile. I even try the non-mpi and it came to a halt at the same file mentioned in the OP. Anybody actually got it to work? I'm just going to compile version 6.4.3.

Yes, there are a few versions running around

Would you please install the "patch" utility on your system (there is certainly a Suse package for that) and retry with 6.6.1. To keep it simple, do a sequential build first i.e.
Any improvement?

Alain

I know, but the latest is always the greatest, no? :p

The 'patch' is what missing I supposed. Because with it, the compile works like a charm.

Thank you to both of you! Err, I mean, thank you to Alain_Jacques