[QE-users] QE 6.3-backports + ENVIRON-1.0 installation

[Giuseppe Mattioli]

Dear users and developers
I'm trying to patch the 6.3-backports version with environ 1.0. I'm  
not using 6.3-backports out of caprice: there was an issue with neb.x  
used with lda_plus_u a few months ago, that was fixed in such version,  
so I can possibly update to the current unstable release, if needed.  
Now I need to perform NEB simulations with my system embedded in an  
implicit solvation environment, and I need therefore to install the  
ENVIRON plug-in. However, all I obtain if I follow the instructions  
and recompile the code (on marconi at cineca) is

  mpiifort -O2 -assume byterecl -g -traceback -nomodule -fpp -D__DFTI  
-D__MPI -D__FFTW -D__ENVIRON    
-I/marconi/home/userexternal/gmattiol/knl/QE/6.3-backports//include  
-I/marconi/home/userexternal/gmattiol/knl/QE/6.3-backports//FoX/finclude  
-I/marconi/home/userexternal/gmattiol/knl/QE/6.3-backports//S3DE/iotk/include/  
-I/cineca/prod/opt/compilers/intel/pe-xe-2017/binary/mkl/include  
-I/marconi/home/userexternal/gmattiol/knl/QE/6.3-backports//iotk/src  
-I/marconi/home/userexternal/gmattiol/knl/QE/6.3-backports//Modules  
-I/marconi/home/userexternal/gmattiol/knl/QE/6.3-backports//FFTXlib  
-I/marconi/home/userexternal/gmattiol/knl/QE/6.3-backports//LAXlib  
-I/marconi/home/userexternal/gmattiol/knl/QE/6.3-backports//UtilXlib  
-I/marconi/home/userexternal/gmattiol/knl/QE/6.3-backports//FoX/finclude  
-I../ELPA/src -c tools_generate_functions.f90
tools_generate_functions.f90(44): error #6580: Name in only-list does  
not exist.   [NL]
     USE gvect,          ONLY : nl, nlm, ngm, gg, gstart
-------------------------------^
tools_generate_functions.f90(44): error #6580: Name in only-list does  
not exist.   [NLM]
     USE gvect,          ONLY : nl, nlm, ngm, gg, gstart
-----------------------------------^
tools_generate_functions.f90(59): error #6404: This name does not have  
a type, and must have an explicit type.   [NL]
     auxg(nl(1:ngm)) = auxr(nl(1:ngm))
---------^
tools_generate_functions.f90(59): error #6514: Substring or array  
slice notation requires CHARACTER type or array.   [NL]
     auxg(nl(1:ngm)) = auxr(nl(1:ngm))
---------^
tools_generate_functions.f90(59): error #7973: A numeric or LOGICAL  
data type is required in this context.   [NL]
     auxg(nl(1:ngm)) = auxr(nl(1:ngm))
---------^
tools_generate_functions.f90(59): error #6514: Substring or array  
slice notation requires CHARACTER type or array.   [NL]
     auxg(nl(1:ngm)) = auxr(nl(1:ngm))
---------------------------^
tools_generate_functions.f90(59): error #7973: A numeric or LOGICAL  
data type is required in this context.   [NL]
     auxg(nl(1:ngm)) = auxr(nl(1:ngm))
---------------------------^
tools_generate_functions.f90(64): error #6514: Substring or array  
slice notation requires CHARACTER type or array.   [NL]
     auxg(nl(1:ngm)) = auxg(nl(1:ngm)) * auxr(nl(1:ngm))
---------^
tools_generate_functions.f90(64): error #7973: A numeric or LOGICAL  
data type is required in this context.   [NL]
     auxg(nl(1:ngm)) = auxg(nl(1:ngm)) * auxr(nl(1:ngm))
---------^
tools_generate_functions.f90(64): error #6514: Substring or array  
slice notation requires CHARACTER type or array.   [NL]
     auxg(nl(1:ngm)) = auxg(nl(1:ngm)) * auxr(nl(1:ngm))
---------------------------^
tools_generate_functions.f90(64): error #7973: A numeric or LOGICAL  
data type is required in this context.   [NL]
     auxg(nl(1:ngm)) = auxg(nl(1:ngm)) * auxr(nl(1:ngm))
---------------------------^
tools_generate_functions.f90(64): error #6514: Substring or array  
slice notation requires CHARACTER type or array.   [NL]
     auxg(nl(1:ngm)) = auxg(nl(1:ngm)) * auxr(nl(1:ngm))
---------------------------------------------^
tools_generate_functions.f90(64): error #7973: A numeric or LOGICAL  
data type is required in this context.   [NL]
     auxg(nl(1:ngm)) = auxg(nl(1:ngm)) * auxr(nl(1:ngm))
---------------------------------------------^
tools_generate_functions.f90(66): error #6404: This name does not have  
a type, and must have an explicit type.   [NLM]
     IF ( gamma_only ) auxg(nlm(1:ngm)) = CMPLX( REAL( auxg(nl(1:ngm))  
), -AIMAG( auxg(nl(1:ngm)) ) ,kind=DP)
---------------------------^
tools_generate_functions.f90(66): error #6514: Substring or array  
slice notation requires CHARACTER type or array.   [NLM]
     IF ( gamma_only ) auxg(nlm(1:ngm)) = CMPLX( REAL( auxg(nl(1:ngm))  
), -AIMAG( auxg(nl(1:ngm)) ) ,kind=DP)
---------------------------^
tools_generate_functions.f90(66): error #7973: A numeric or LOGICAL  
data type is required in this context.   [NLM]
     IF ( gamma_only ) auxg(nlm(1:ngm)) = CMPLX( REAL( auxg(nl(1:ngm))  
), -AIMAG( auxg(nl(1:ngm)) ) ,kind=DP)
---------------------------^
tools_generate_functions.f90(66): error #6514: Substring or array  
slice notation requires CHARACTER type or array.   [NL]
     IF ( gamma_only ) auxg(nlm(1:ngm)) = CMPLX( REAL( auxg(nl(1:ngm))  
), -AIMAG( auxg(nl(1:ngm)) ) ,kind=DP)
-----------------------------------------------------------^
tools_generate_functions.f90(66): error #7973: A numeric or LOGICAL  
data type is required in this context.   [NL]
     IF ( gamma_only ) auxg(nlm(1:ngm)) = CMPLX( REAL( auxg(nl(1:ngm))  
), -AIMAG( auxg(nl(1:ngm)) ) ,kind=DP)
-----------------------------------------------------------^
tools_generate_functions.f90(66): error #6514: Substring or array  
slice notation requires CHARACTER type or array.   [NL]
     IF ( gamma_only ) auxg(nlm(1:ngm)) = CMPLX( REAL( auxg(nl(1:ngm))  
), -AIMAG( auxg(nl(1:ngm)) ) ,kind=DP)
--------------------------------------------------------------------------------------^
tools_generate_functions.f90(66): error #7973: A numeric or LOGICAL  
data type is required in this context.   [NL]
     IF ( gamma_only ) auxg(nlm(1:ngm)) = CMPLX( REAL( auxg(nl(1:ngm))  
), -AIMAG( auxg(nl(1:ngm)) ) ,kind=DP)
--------------------------------------------------------------------------------------^
compilation aborted for tools_generate_functions.f90 (code 1)
make[1]: *** [tools_generate_functions.o] Errore 1
make[1]: Leaving directory  
`/marconi/home/userexternal/gmattiol/knl/QE/6.3-backports/Modules'
make: *** [mods] Errore 1

Can anybody suggest improvements?
Thank you in advance
Giuseppe


GIUSEPPE MATTIOLI
CNR - ISTITUTO DI STRUTTURA DELLA MATERIA
Via Salaria Km 29,300 - C.P. 10
I-00015 - Monterotondo Scalo (RM)
Mob (*preferred*) +39 373 7305625
Tel + 39 06 90672342 - Fax +39 06 90672316
E-mail: <giuseppe.mattioli at ism.cnr.it>