Compilation error with "make yambo" in QE 6.5 with Intel 18.0.1
Posted: Thu Mar 19, 2020 10:47 am
Hi,
One of our cluster users requested the installation of Yambo as part of Quantum Espresso on our HPC cluster. When trying to compile it I got some errors.
(1) I am using the intel 18.0.1 compiler:
(2) x86_64 architecture, CentOS 7.5 operating system
(3) compiling serial, using the command "make yambo" within the Quantum Espresso 6.5 installation
(4) According to the configure script, it is version 4.2.1:
(5) Please find below the excerpt of the logs with the error message (I have attached the full log from "make yambo" as yambo.log.gz):
Any help is appreciated.
Best regards
Sam
One of our cluster users requested the installation of Yambo as part of Quantum Espresso on our HPC cluster. When trying to compile it I got some errors.
(1) I am using the intel 18.0.1 compiler:
Code: Select all
[sfux@eu-c7-059-16 q-e-qe-6.5]$ ifort --version
ifort (IFORT) 18.0.1 20171018
Copyright (C) 1985-2017 Intel Corporation. All rights reserved.
[sfux@eu-c7-059-16 q-e-qe-6.5]$
Code: Select all
[sfux@eu-c7-059-16 q-e-qe-6.5]$ cat /etc/redhat-release
CentOS Linux release 7.5.1804 (Core)
[sfux@eu-c7-059-16 q-e-qe-6.5]$ uname -a
Linux eu-c7-059-16 3.10.0-862.14.4.el7.x86_64 #1 SMP Wed Sep 26 15:12:11 UTC 2018 x86_64 GNU/Linux
[sfux@eu-c7-059-16 q-e-qe-6.5]$
(4) According to the configure script, it is version 4.2.1:
Code: Select all
[sfux@eu-c7-059-16 yambo-stable]$ grep PACKAGE_VERSION= configure
PACKAGE_VERSION='4.2.1 r.14778 h.7b4dc3c'
[sfux@eu-c7-059-16 yambo-stable]$
Code: Select all
make[3]: Entering directory '/scratch/114637456.tmpdir/q-e-qe-6.5/yambo-stable/src/modules'
cd /scratch/114637456.tmpdir/q-e-qe-6.5/YAMBO/src/modules; /scratch/114637456.tmpdir/q-e-qe-6.5/YAMBO/sbin/moduledep.sh mod_pars.o mod_units.o mod_stderr.o mod_memory.o mod_openmp.o mod_parallel.o mod_SLK.o mod_linear_algebra.o mod_wrapper.o mod_wrapper_omp.o mod_drivers.o mod_FFT.o mod_LIVE_t.o mod_logo.o mod_com.o mod_timing.o mod_R_lattice.o mod_electrons.o mod_wave_func.o mod_xc_functionals.o mod_global_XC.o mod_matrix_operate.o mod_D_lattice.o mod_frequency.o mod_vec_operate.o mod_X.o mod_functions.o mod_zeros.o mod_pseudo.o mod_QP.o mod_collision_el.o mod_BS.o mod_BS_solvers.o mod_QP_CTL.o mod_TDDFT.o mod_ACFDT.o mod_pointers.o mod_IO.o mod_X_output.o mod_POL_FIT.o mod_debug.o mod_interfaces.o SET_logicals.o SET_defaults.o > /scratch/114637456.tmpdir/q-e-qe-6.5/YAMBO/src/modules/make.dep
/scratch/114637456.tmpdir/q-e-qe-6.5/YAMBO/src/modules/mod_pars.F(28): error #5082: Syntax error, found IDENTIFIER 'NONEER' when expecting one of: => = . [ % ( :
impli noneer
-------^
/scratch/114637456.tmpdir/q-e-qe-6.5/YAMBO/src/modules/mod_pars.F(34): error #5082: Syntax error, found ',' when expecting one of: => = . [ % ( :
integ, parameter :: max_n_of_cpus=100000
------^
/scratch/114637456.tmpdir/q-e-qe-6.5/YAMBO/src/modules/mod_pars.F(34): error #5082: Syntax error, found '=' when expecting one of: .EQV. .NEQV. .XOR. .OR. .AND. .LT. < .LE. <= .EQ. == .NE. /= .GT. > ...
integ, parameter :: max_n_of_cpus=100000
----------------------------------^
/scratch/114637456.tmpdir/q-e-qe-6.5/YAMBO/src/modules/mod_pars.F(103): error #5192: Lead underscore not allowed
real(SP), parameter :: pi=3.141592653589793238462643383279502884197_
------------------------------------------------------------------------^
/scratch/114637456.tmpdir/q-e-qe-6.5/YAMBO/src/modules/mod_pars.F(103): error #5082: Syntax error, found IDENTIFIER '_' when expecting one of: .EQV. .NEQV. .XOR. .OR. .AND. .LT. < .LE. <= .EQ. == .NE. /= .GT. > ...
real(SP), parameter :: pi=3.141592653589793238462643383279502884197_
-----------------------------------------------------------------------^
/scratch/114637456.tmpdir/q-e-qe-6.5/YAMBO/src/modules/mod_pars.F(104): error #5276: Unbalanced parentheses
*DP), parameter :: pi_DP=3.1415926535897932384626433832795028841
--------^
/scratch/114637456.tmpdir/q-e-qe-6.5/YAMBO/src/modules/mod_pars.F(104): error #5082: Syntax error, found '*' when expecting one of: <LABEL> <END-OF-STATEMENT> ; TYPE INTEGER REAL COMPLEX BYTE CHARACTER CLASS DOUBLE ...
*DP), parameter :: pi_DP=3.1415926535897932384626433832795028841
-----^
/scratch/114637456.tmpdir/q-e-qe-6.5/YAMBO/src/modules/mod_pars.F(106): error #5082: Syntax error, found ')' when expecting one of: <REAL_KIND_CON> <REAL_CONSTANT> <DBLPRC_CONSTANT> <DBLPRC_KIND_CON> <QUAPRC_CONSTANT> ...
real(), parameter :: infinity_dfl=HUGE(1._SP)
------^
/scratch/114637456.tmpdir/q-e-qe-6.5/YAMBO/src/modules/mod_pars.F(108): error #5082: Syntax error, found ')' when expecting one of: <REAL_KIND_CON> <REAL_CONSTANT> <DBLPRC_CONSTANT> <DBLPRC_KIND_CON> <QUAPRC_CONSTANT> ...
real(), parameter :: rONE =1._SPex
------^
/scratch/114637456.tmpdir/q-e-qe-6.5/YAMBO/src/modules/mod_pars.F(109): error #5082: Syntax error, found ',' when expecting one of: => = . [ % (
compl(SP), parameter :: cI =(0._SP,1._SP)
----------^
/scratch/114637456.tmpdir/q-e-qe-6.5/YAMBO/src/modules/mod_pars.F(109): error #5082: Syntax error, found '=' when expecting one of: .EQV. .NEQV. .XOR. .OR. .AND. .LT. < .LE. <= .EQ. == .NE. /= .GT. > ...
compl(SP), parameter :: cI =(0._SP,1._SP)
------------------------------^
compilation aborted for mod_pars.f90 (code 1)
make[3]: *** [Makefile:201: mod_pars.o] Error 1
make[3]: Leaving directory '/scratch/114637456.tmpdir/q-e-qe-6.5/yambo-stable/src/modules'
make[2]: *** [Makefile:191: yambo] Error 2
make[2]: Leaving directory '/scratch/114637456.tmpdir/q-e-qe-6.5/yambo-stable'
make[1]: *** [plugins_makefile:149: yambo] Error 1
make[1]: Leaving directory '/scratch/114637456.tmpdir/q-e-qe-6.5/install'
make: *** [Makefile:258: yambo] Error 1
[1]+ Exit 2 make yambo &>yambo.log
[sfux@eu-c7-059-16 q-e-qe-6.5]$
Best regards
Sam