gms-bbg / gamess-issues

GAMESS issue tracking
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Compilation failure for aambs #77

Closed AIDDHub closed 1 hour ago

AIDDHub commented 4 hours ago

Hello, I am installing gamess2024R2P1 in Ubuntu 20.04.5 LTS. Here is the generated install.info:

#!/bin/csh -f

#   Compilation configuration for GAMESS
#   Generated on cadd-Precision-7920-Tower
#   Generated at 2024年 11月 01日 星期五 14:32:01 CST

setenv GMS_VERSION           00

#                 GAMESS Paths                     #
setenv GMS_PATH              /opt/gamess2024R2P1
setenv GMS_BUILD_DIR         /opt/gamess2024R2P1

#                  Machine Type                    #
setenv GMS_TARGET            linux64
setenv GMS_HPC_SYSTEM_TARGET generic
setenv GMS_ARCH              x86_64

#              FORTRAN Compiler Setup              #
setenv GMS_FORTRAN           gfortran
setenv GMS_GFORTRAN_VERNO    9.4

#         Mathematical Library Setup               #
setenv GMS_MATHLIB           none
setenv GMS_THREADED_BLAS     false
setenv GMS_LAPACK_LINK_LINE  ""
#         parallel message passing model setup
setenv GMS_DDI_COMM          sockets

#     Michigan State University Coupled Cluster    #
setenv GMS_MSUAUTO           false

#         LIBCCHEM 2.0 interface          #
setenv GMS_HPCCHEM           false
setenv GMS_HPCCHEM_PATH      
setenv GMS_HPCCHEM_USE_DATA_SERVERS false

#      Intel Xeon Phi Build: none/knc/knl          #
setenv GMS_PHI               none

#         Shared Memory Type: sysv/posix           #
setenv GMS_SHMTYPE           sysv

#      GAMESS OpenMP support: true/false           #
setenv GMS_OPENMP            false
#      GAMESS OpenMP Offload support: true/false   #
setenv GMS_OPENMP_OFFLOAD    false
setenv GMS_USE_HIPFORT       false
setenv USE_CUBLAS            false
setenv USE_HIPBLAS           false

#      GAMESS LibXC library: true/false            #
setenv GMS_LIBXC             false

#      GAMESS MDI library: true/false              #
setenv GMS_MDI               false

#       VM2 library: true/false                    #
setenv  GMS_VM2              false

#       Tinker: true/false                         #
setenv  TINKER               false

#       VB2000: true/false                         #
setenv  VB2000               false

#       XMVB: true/false                           #
setenv  XMVB                 false

#       NEO: true/false                            #
setenv  NEO                  false

#       NBO: true/false                            #
setenv  NBO                  false

#       RISM: true/false                           #
setenv  RISM                 false

####################################################
# Added any additional environmental variables or  #
# module loads below if needed.                    #
####################################################
# Capture floating-point exceptions                #
setenv GMS_FPE_FLAGS        ''

However, I meet an error:

f951: Fatal Error: Reading module ‘aambsrel’ at line 3887 column 43: Unexpected EOF
compilation terminated.
Compilation failure for aambs, please fix the problem.
make: *** [Makefile:332: /opt/gamess2024R2P1/object/aambs.o] Error 1
make: *** Waiting for unfinished jobs....
saromleang commented 4 hours ago

Try changing #!/bin/csh to #!/bin/tcsh in all the scripts.

AIDDHub commented 4 hours ago

Thanks. I tried it but it didn't work.

foxtran commented 3 hours ago

@AIDDHub, try to remove all .o/.mod files in object directory and compile GAMESS one more time. The issue comes from compiler

AIDDHub commented 2 hours ago

@foxtran It works. Thank you very much.