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卢老师，Intel编译器已正常安装，编译VASP运行make all命令后，遇到了如下的错误提示。请问该如何解决？
mkdir build/std ; \
cp src/makefile src/.objects makefile.include build/std ; \
make -C build/std VERSION=std all
mkdir: cannot create directory ‘build/std’: File exists
make[1]: Entering directory `/opt/vasp.5.4.4/build/std'
rsync -ru ../../src/lib .
cp makefile.include lib
make -C lib -j1
make[2]: Entering directory `/opt/vasp.5.4.4/build/std/lib'
make libdmy.a
make[3]: Entering directory `/opt/vasp.5.4.4/build/std/lib'
make[3]: `libdmy.a' is up to date.
make[3]: Leaving directory `/opt/vasp.5.4.4/build/std/lib'
make[2]: Leaving directory `/opt/vasp.5.4.4/build/std/lib'
rsync -ru ../../src/parser .
cp makefile.include parser
make -C parser -j1
make[2]: Entering directory `/opt/vasp.5.4.4/build/std/parser'
make libparser.a
make[3]: Entering directory `/opt/vasp.5.4.4/build/std/parser'
make[3]: `libparser.a' is up to date.
make[3]: Leaving directory `/opt/vasp.5.4.4/build/std/parser'
make[2]: Leaving directory `/opt/vasp.5.4.4/build/std/parser'
rsync -u ../../src/*.F ../../src/*.inc .
rm -f vasp ; make vasp ; cp vasp ../../bin/vasp_std
make[2]: Entering directory `/opt/vasp.5.4.4/build/std'
mpiifort -free -names lowercase -assume byterecl -w -O2 -xhost -I/opt/intel/compilers_and_libraries_2019.1.144/linux/mkl/include/fftw -c mpi.f90
mpi.F(95): error #5102: Cannot open include file 'mpif.h'
INCLUDE "mpif.h"
--------------^
mpi.F(120): error #6404: This name does not have a type, and must have an explicit type. [MPI_SUCCESS]
IF ( ierror /= MPI_success ) THEN
---------------------^
mpi.F(129): error #6404: This name does not have a type, and must have an explicit type. [MPI_COMM_WORLD]
COMM%MPI_COMM= MPI_comm_world
---------------------^
mpi.F(237): error #6404: This name does not have a type, and must have an explicit type. [MPI_UNDEFINED]
color=MPI_UNDEFINED
------------^
mpi.F(247): error #6404: This name does not have a type, and must have an explicit type. [MPI_COMM_NULL]
IF (COMM_INTER%MPI_COMM /= MPI_COMM_NULL) THEN
---------------------------------^
mpi.F(312): error #6404: This name does not have a type, and must have an explicit type. [MPI_CHARACTER]
CALL MPI_bcast(pname,MPI_MAX_PROCESSOR_NAME,MPI_CHARACTER,I-1,COMM%MPI_COMM,ierror)
--------------------------------------------------------^
mpi.F(277): error #7915: A specification expression object must be a dummy argument, a COMMON block object, or an object accessible through host or use association - may be used in multiple contained procedures. [MPI_MAX_PROCESSOR_NAME]
CHARACTER*(MPI_MAX_PROCESSOR_NAME) myname,pname
-----------------^
mpi.F(277): error #6404: This name does not have a type, and must have an explicit type. [MPI_MAX_PROCESSOR_NAME]
CHARACTER*(MPI_MAX_PROCESSOR_NAME) myname,pname
-----------------^
mpi.F(429): error #6404: This name does not have a type, and must have an explicit type. [MPI_COMM_TYPE_SHARED]
CALL MPI_Comm_split_type(COMM%MPI_COMM,MPI_COMM_TYPE_SHARED,0,MPI_INFO_NULL,COMM_intra%MPI_COMM,ierror)
---------------------------------------------^
mpi.F(429): error #6404: This name does not have a type, and must have an explicit type. [MPI_INFO_NULL]
CALL MPI_Comm_split_type(COMM%MPI_COMM,MPI_COMM_TYPE_SHARED,0,MPI_INFO_NULL,COMM_intra%MPI_COMM,ierror)
--------------------------------------------------------------------^
mpi.F(463): error #6404: This name does not have a type, and must have an explicit type. [MPI_INTEGER]
CALL MPI_bcast(ID,1,MPI_INTEGER,I-1,COMM%MPI_COMM,ierror)
-----------------------------^
mpi.F(570): error #7002: Error in opening the compiled module file. Check INCLUDE paths. [MPIMY]
USE mpimy
----------^
mpi.F(526): error #6457: This derived type name has not been declared. [COMMUNIC]
TYPE(communic) COMM
-----------^
mpi.F(534): error #6404: This name does not have a type, and must have an explicit type. [MPI_SUCCESS]
IF ( ierror /= MPI_success ) &
---------------------^
mpi.F(550): error #7002: Error in opening the compiled module file. Check INCLUDE paths. [MPIMY]
USE mpimy
----------^
mpi.F(559): error #6404: This name does not have a type, and must have an explicit type. [MPI_COMM_WORLD]
call MPI_abort(MPI_comm_world , 1, ierror )
---------------------^
mpi.F(568): error #7002: Error in opening the compiled module file. Check INCLUDE paths. [MPIMY]
USE mpimy
----------^
mpi.F(577): error #6404: This name does not have a type, and must have an explicit type. [MPI_COMM_WORLD]
call MPI_abort(MPI_comm_world , 1, ierror )
---------------------^
mpi.F(596): error #7002: Error in opening the compiled module file. Check INCLUDE paths. [MPIMY]
USE mpimy
----------^
mpi.F(600): error #6457: This derived type name has not been declared. [COMMUNIC]
TYPE(communic) COMM
-----------^
mpi.F(606): error #6404: This name does not have a type, and must have an explicit type. [MPI_INTEGER]
call MPI_send( ivec(1), n, MPI_integer, node-1, 200, &
---------------------------------^
mpi.F(607): error #6404: This name does not have a type, and must have an explicit type. [COMM]
& COMM%MPI_COMM, ierror )
---------------------^
mpi.F(607): error #6460: This is not a field name that is defined in the encompassing structure. [MPI_COMM]
& COMM%MPI_COMM, ierror )
--------------------------^
mpi.F(608): error #6404: This name does not have a type, and must have an explicit type. [MPI_SUCCESS]
IF ( ierror /= MPI_success ) &
---------------------^
mpi.F(604): error #6279: A specification expression object must be a dummy argument, a COMMON block object, or an object accessible through host or use association. [MPI_STATUS_SIZE]
INTEGER status(MPI_status_size), ierror
---------------------^
mpi.F(604): error #6404: This name does not have a type, and must have an explicit type. [MPI_STATUS_SIZE]
INTEGER status(MPI_status_size), ierror
---------------------^
mpi.F(622): error #7002: Error in opening the compiled module file. Check INCLUDE paths. [MPIMY]
USE mpimy
----------^
mpi.F(626): error #6457: This derived type name has not been declared. [COMMUNIC]
TYPE(communic) COMM
-----------^
mpi.F(631): error #6404: This name does not have a type, and must have an explicit type. [MPI_INTEGER]
call MPI_recv( ivec(1), n, MPI_integer , node-1, 200, &
---------------------------------^
mpi.f90(1212): catastrophic error: Too many errors, exiting
compilation aborted for mpi.f90 (code 1)
make[2]: *** [mpi.o] Error 1
make[2]: Leaving directory `/opt/vasp.5.4.4/build/std'
cp: cannot stat ‘vasp’: No such file or directory
make[1]: *** [all] Error 1
make[1]: Leaving directory `/opt/vasp.5.4.4/build/std'
make: *** [std] Error 2 |
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发表于 Post on 2020-6-20 11:27:18
楼主 Author