compilation error for yambo-4.1.3

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If you have trouble compiling Yambo, please make sure to list:
(1) the compiler (vendor and release: e.g. intel 10.1)
(2) the architecture (e.g. 64-bit IBM SP5)
(3) if the problems occur compiling in serial/in parallel
(4) the version of Yambo (revision number/major release version)
(5) the relevant compiler error message

compilation error for yambo-4.1.3

Postby Tianshu » Thu Nov 16, 2017 1:19 pm

Dear all:

I tried to compile yambo-4.1.3 in parallel on my CentOs6 with the following configuration script,

./configure --prefix=/home/tsli/mpi_yambo/
--with-hdf5-path=/home/tsli/mpi_yambo/
--enable-netcdf-LFS --enable-netcdf-hdf5
--with-iotk-path=/home/tsli/usr/espresso-4.3.2/iotk/ --enable-iotk
--with-netcdf-libs="-L/home/tsli/mpi_yambo/lib/ -lnetcdf"
FC=ifort F77=ifort PFC=/opt/intel/openmpi-1.8.4/bin/mpifort CC=icc
--enable-open-mp
--with-mpi-libs=/opt/intel/openmpi-1.8.4/lib

but the following error occurred:

>>>[Making external_c]<<<
cp: `/home/tsli/soft/yambo-4.1.3/src/external_c/.objects' and `src/external_c/.objects' are the same file
Warning #2216: '=' assumed following macro name "_libexternal_c" in command-line definition

make[2]: Entering directory `/home/tsli/soft/yambo-4.1.3/src/external_c'
ar: creating libexternal_c.a
make[2]: Leaving directory `/home/tsli/soft/yambo-4.1.3/src/external_c'

>>>[Making modules]<<<
cp: `/home/tsli/soft/yambo-4.1.3/src/modules/.objects' and `src/modules/.objects' are the same file
Warning #2216: '=' assumed following macro name "_libmodules" in command-line definition

make[2]: Entering directory `/home/tsli/soft/yambo-4.1.3/src/modules'
mod_pars.f90(26): error #7002: Error in opening the compiled module file. Check INCLUDE paths. [NETCDF]
use netcdf
-----^
mod_pars.f90(48): error #6592: This symbol must be a defined parameter, an enumerator, or an argument of an inquiry function that evaluates to a compile-time constant. [NF90_REAL]
integer, parameter :: nf90_SP = nf90_real
---------------------------------^
mod_pars.f90(48): error #6404: This name does not have a type, and must have an explicit type. [NF90_REAL]
integer, parameter :: nf90_SP = nf90_real
---------------------------------^
compilation aborted for mod_pars.f90 (code 1)
make[2]: *** [mod_pars.o] Error 1
make[2]: Leaving directory `/home/tsli/soft/yambo-4.1.3/src/modules'
make[1]: *** [ypp_ph] Error 2
make[1]: Leaving directory `/home/tsli/soft/yambo-4.1.3'
make: *** [all] Error 2

with the following configuration results:
#
# [VER] 4.1.3 r.14036
#
# - GENERAL CONFIGURATIONS -
#
# [SYS] linux@x86_64
# [SRC] /home/tsli/soft/yambo-4.1.3
# [BIN] /home/tsli/soft/yambo-4.1.3/bin
# [-] Double precision
# [X] Redundant compilation
# [-] Run-Time timing profile
#
# - PARALLEL SUPPORT -
#
# [-] MPI
# [X] OpenMP
# [-] Blue-Gene specific procedures
#
# - LIBRARIES (E=external library; I=internal library; -=not used;) -
#
# I/O
# [ E ] IOTK : /home/tsli/usr/espresso-4.3.2/iotk//src/libiotk.a (QE 5.0)
# [ - ] ETSF_IO:
# [ E ] NETCDF : -L/home/tsli/mpi_yambo/lib/ -lnetcdf (With large files support)
# [ - ] HDF5 :
#
# MATH
# [ I ] FFT : Internal Goedecker FFT with 0 cache
# [ I ] BLAS : -lblas
# [ I ] LAPACK : -llapack
# [ - ] SCALAPACK:
#
# OTHER
# [ I ] LibXC : -lxcf90 -lxc
# [ E ] MPI library:
#
# - COMPILERS, MAKE and EDITOR -
#
# [ CPP ] icc -E -I/home/tsli/mpi_yambo/include/ -D_64BIT_OFFSET -D_FFTSG -D_OPENMP
# [ FPP ] cpp -E -P -ansi -D_64BIT_OFFSET -D_FFTSG -D_OPENMP
# [ C ] mpicc -g -O2 -D_C_US -D_FORTRAN_US
# [MPICC]
# [ F90 ] ifort -assume bscc -g -O3 -ip -openmp
# [MPIF ] -openmp
# [ F77 ] ifort -assume bscc -g -O3 -ip
# [Cmain] -nofor_main
# [NoOpt] -assume bscc -g -O0
#
# [ MAKE ] make
# [EDITOR] vim
#

I don't know how to solve this problem and I hope you can give me some suggestions, thank you. The config.log is attached.

Best regards
Tianshu Li
Jilin University
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College of Materials Science and Engineering,
Jilin University, China
Institute http://dmse.jlu.edu.cn/?mod=info&act=view&id=502
Tianshu
 
Posts: 27
Joined: Wed Sep 20, 2017 8:36 am

Re: compilation error for yambo-4.1.3

Postby Daniele Varsano » Wed Nov 22, 2017 10:30 am

Dear Thiansu,
Sorry for the delay in replying,
have you succeed to compile or still you have problem?
In any case I suggest you to switch to the latest yambo version as many bugs have been fixed.
Best,

Daniele
Dr. Daniele Varsano
S3-CNR Institute of Nanoscience and MaX Center, Italy
MaX - Materials design at the Exascale
http://www.nano.cnr.it
http://www.max-centre.eu/
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Daniele Varsano
 
Posts: 1974
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