Compiling error of 5.0.0

You can find here problems arising when using old releases of Yambo (< 5.0). Issues as parallelization strategy, performance issues and other technical aspects.

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sdwang
Posts: 299
Joined: Fri Apr 09, 2010 12:30 pm

Compiling error of 5.0.0

Post by sdwang » Thu Feb 04, 2021 4:37 am

Dear all,
I have just compiled the v-5.0.0 and an error appeared as (it is the error of ypp step ):

>>>[Making electrons]<<<
Warning #2216: '=' assumed following macro name "_lib_ypp_electrons" in command-line definition

make[2]: Entering “/public/software/yambo-5.0.0/ypp/electrons”
cd /public/software/yambo-5.0.0/ypp/electrons; /public/software/yambo-5.0.0/sbin/moduledep.sh electrons_driver.o electrons_spin_factors.o electrons_pdos_factors.o electrons_magn_factors.o electrons_dos.o electrons_dos_elemental.o electrons_dos_setup.o electrons_density.o electrons_bands.o electrons_WFs.o electrons_current.o electrons_magnetization.o electrons_bands_interpolate.o electrons_spin_and_magn_interpolate.o > /public/software/yambo-5.0.0/ypp/electrons/make.dep
make[2]: Leaving “/public/software/yambo-5.0.0/ypp/electrons”
make[2]: Entering “/public/software/yambo-5.0.0/ypp/electrons”
electrons_driver.F electrons_spin_factors.F electrons_pdos_factors.F electrons_magn_factors.F electrons_dos.f90(215): error #8527: If a bound remapping list is specified, data target must be simply contiguous or of rank one. [PDOS_FAC_P]
PDOS_fac_p(LB(1):UB(1),LB(2):UB(2),LB(3):UB(3)) => PDOS_fac_p
--------------------------------------------------------^
electrons_dos.f90(223): error #8527: If a bound remapping list is specified, data target must be simply contiguous or of rank one. [SPIN_FAC_P]
SPIN_fac_p(LB(1):UB(1),LB(2):UB(2),LB(3):UB(3)) => SPIN_fac_p
--------------------------------------------------------^
compilation aborted for electrons_dos.f90 (code 1)
make[2]: *** [electrons_dos.o] error 1
make[2]: Leaving “/public/software/yambo-5.0.0/ypp/electrons”
make[1]: *** [ypp] error 2
make[1]: Leaving “/public/software/yambo-5.0.0”
ypp build failed


I have used the same options for yambo-master before, it works smoothly. And in attached is the logfile.
config.log
Thanks!

Shudong
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S. D. Wang
IMU,HOHHOT,CHINA
E-mail: sdwang@imu.edu.cn

andrea.ferretti
Posts: 214
Joined: Fri Jan 31, 2014 11:13 am

Re: Compiling error of 5.0.0

Post by andrea.ferretti » Thu Feb 04, 2021 11:18 am

Hi Shudong,

I've tried to reproduce the problem but with
ifort version 19.1.0.166
the compilation works fine with me.
I see you are using ifort 15.x, perhaps it is just enough to update the intel compiler.

take care
Andrea
Andrea Ferretti, PhD
CNR-NANO-S3 and MaX Centre
via Campi 213/A, 41125, Modena, Italy
Tel: +39 059 2055322; Skype: andrea_ferretti
URL: http://www.nano.cnr.it

sdwang
Posts: 299
Joined: Fri Apr 09, 2010 12:30 pm

Re: Compiling error of 5.0.0

Post by sdwang » Thu Feb 04, 2021 5:01 pm

Hi Andrea,
Thanks for your suggestion! I updated the ifort to v-19, and it works now.

Ciao

Shudong
S. D. Wang
IMU,HOHHOT,CHINA
E-mail: sdwang@imu.edu.cn

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