Amber12 is up to date Searching for python2... Found python2.6: /usr/bin/python2.6 Detected icc version 11 Detected ifort version 11 Testing the icc compiler: icc -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE -o testp testp.c OK Testing the ifort compiler: ifort -O0 -o testp testp.f OK Testing mixed C/Fortran compilation: icc -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE -c -o testp.c.o testp.c ifort -O0 -c -o testp.f.o testp.f icc -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE -o testp testp.c.o testp.f.o -L/opt/intel/Compiler/11.1/046/lib/intel64/ -lifport -lifcore -lsvml OK Testing pointer size: icc -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE -o test_pointer_size test_pointer_size.c Detected 64 bit operating system. Testing flex: OK Configuring NetCDF (may be time-consuming)... NetCDF configure succeeded. Checking for zlib: OK Checking for libbz2: OK Skipping configuration of FFTW3 The configuration file, config.h, was successfully created. The next step is to type 'make install' Cleaning the src directories. This may take a few moments. Configure complete. [kshatresh@ensemble amber12]$ vi configure.log [kshatresh@ensemble amber12]$ make install >make_parallel.log $ make: *** empty variable name. Stop. [kshatresh@ensemble amber12]$ make install > log nblist.c(883): warning #161: unrecognized #pragma #pragma omp parallel reduction (+: totpair) \ ^ eff.c(24): warning #161: unrecognized #pragma #pragma omp parallel reduction (+: e_cons) private (i, rx, ry, rz, rw) ^ eff.c(90): warning #161: unrecognized #pragma #pragma omp parallel reduction (+: e_bond) \ ^ eff.c(180): warning #161: unrecognized #pragma #pragma omp parallel reduction (+: e_theta) \ ^ eff.c(336): warning #161: unrecognized #pragma #pragma omp parallel reduction (+: e_tors) \ ^ eff.c(968): warning #161: unrecognized #pragma #pragma omp parallel \ ^ eff.c(1037): warning #161: unrecognized #pragma #pragma omp for schedule(dynamic, blocksize) ^ eff.c(1561): warning #161: unrecognized #pragma #pragma omp parallel \ ^ eff.c(1602): warning #161: unrecognized #pragma #pragma omp for schedule(dynamic, blocksize) ^ eff.c(1754): warning #161: unrecognized #pragma #pragma omp parallel reduction (+: epol, elec, evdw, evdwnp) \ ^ eff.c(1847): warning #161: unrecognized #pragma #pragma omp for schedule(dynamic, blocksize) ^ eff.c(2115): warning #161: unrecognized #pragma #pragma omp parallel \ ^ eff.c(2172): warning #161: unrecognized #pragma #pragma omp for schedule(dynamic, blocksize) ^ egbr6.c(136): warning #161: unrecognized #pragma #pragma omp parallel \ ^ egbr6.c(302): warning #161: unrecognized #pragma #pragma omp parallel reduction (+: epol, elec, evdw) \ ^ egbr6.c(610): warning #161: unrecognized #pragma #pragma omp parallel \ ^ sff2.c(2694): warning #161: unrecognized #pragma #pragma omp parallel \ ^ sff2.c(3421): warning #161: unrecognized #pragma #pragma omp parallel reduction (+: epol, elec, evdw, evdwnp) \ ^ sff2.c(4756): warning #161: unrecognized #pragma #pragma omp barrier ^ sff2.c(6447): warning #161: unrecognized #pragma #pragma omp parallel private (i, j, i3, ii, jj, in9, threadnum, numthreads) ^ sff2.c(6626): warning #161: unrecognized #pragma #pragma omp parallel private (k, j, kk, jj, threadnum, numthreads) ^ sff2.c(6651): warning #161: unrecognized #pragma #pragma omp for ^ ar: creating /export/home/kshatresh/amber12//lib/libsff_mpi.a ar: creating libpbsa.a main.o: In function `main': main.c:(.text+0x3cf): warning: the use of `mktemp' is dangerous, better use `mkstemp' /export/home/kshatresh/amber12//bin/yacc: 3 shift/reduce conflicts. y.tab.c(800): warning #177: label "yynewerror" was declared but never referenced yynewerror: ^ y.tab.c(805): warning #177: label "yyerrlab" was declared but never referenced yyerrlab: ^ ./parse: 82 symbols. ./parse: 19 types, lastuser = 14, v_error = 14. ./parse: 9 classes. ./parse: 8 kinds. ./parse: 4 accesses. ./parse: 27 attributes. ./parse: 40 rules. ./parse: 40 used symbols. ./parse: 15 used types. ./parse: 7 used classes. ./parse: 7 used kinds. ./parse: 0 errors. database.c(430): warning #167: argument of type "int (*)()" is incompatible with parameter of type "__compar_fn_t" sizeof(DICT_ENTRYt), ziDictKeyCompare ); ^ ar: creating libnab.a /bin/mv: cannot move `build/lib.linux-x86_64-2.6/mpi4py' to `/export/home/kshatresh/amber12//bin/mpi4py': Directory not empty ar: creating libsqm.a ar: creating libFpbsa.a ncsu-umbrella.F90(9): error #7013: This module file was not generated by any release of this compiler. [NETCDF] use netcdf, only : nf90_double, nf90_float ----^ ncsu-umbrella.F90(66): error #6592: This symbol must be a defined parameter, an enumerator, or an argument of an inquiry function that evaluates to a compile-time constant. [NF90_DOUBLE] integer, private, parameter :: coeffs_type = nf90_double ---------------------------------------------^ ncsu-umbrella.F90(79): error #6592: This symbol must be a defined parameter, an enumerator, or an argument of an inquiry function that evaluates to a compile-time constant. [ONE] double precision, private, parameter :: MINUS_ONE = -ONE -----------------------------------------------------^ ncsu-umbrella.F90(80): error #6592: This symbol must be a defined parameter, an enumerator, or an argument of an inquiry function that evaluates to a compile-time constant. [ONE] double precision, private, parameter :: ONE_THIRD = ONE/THREE ----------------------------------------------------^ ncsu-umbrella.F90(80): error #6592: This symbol must be a defined parameter, an enumerator, or an argument of an inquiry function that evaluates to a compile-time constant. [THREE] double precision, private, parameter :: ONE_THIRD = ONE/THREE --------------------------------------------------------^ ncsu-umbrella.F90(82): error #6592: This symbol must be a defined parameter, an enumerator, or an argument of an inquiry function that evaluates to a compile-time constant. [ONE] double precision, private, parameter :: ONE_SIXTH = ONE/6 ----------------------------------------------------^ ncsu-umbrella.F90(83): error #6592: This symbol must be a defined parameter, an enumerator, or an argument of an inquiry function that evaluates to a compile-time constant. [TWO] double precision, private, parameter :: TWO_THIRD = TWO/THREE ----------------------------------------------------^ ncsu-umbrella.F90(83): error #6592: This symbol must be a defined parameter, an enumerator, or an argument of an inquiry function that evaluates to a compile-time constant. [THREE] double precision, private, parameter :: TWO_THIRD = TWO/THREE --------------------------------------------------------^ ncsu-umbrella.F90(84): error #6592: This symbol must be a defined parameter, an enumerator, or an argument of an inquiry function that evaluates to a compile-time constant. [ONE] double precision, private, parameter :: HALF = ONE/TWO -----------------------------------------------^ ncsu-umbrella.F90(84): error #6592: This symbol must be a defined parameter, an enumerator, or an argument of an inquiry function that evaluates to a compile-time constant. [TWO] double precision, private, parameter :: HALF = ONE/TWO ---------------------------------------------------^ ncsu-umbrella.F90(9): error #6580: Name in only-list does not exist. [NF90_DOUBLE] use netcdf, only : nf90_double, nf90_float -------------------^ ncsu-umbrella.F90(9): error #6580: Name in only-list does not exist. [NF90_FLOAT] use netcdf, only : nf90_double, nf90_float --------------------------------^ ncsu-umbrella.F90(12): error #6580: Name in only-list does not exist. [ZERO] use ncsu_constants, only : ZERO, ONE, TWO, THREE, FOUR ---------------------------^ ncsu-umbrella.F90(12): error #6580: Name in only-list does not exist. [ONE] use ncsu_constants, only : ZERO, ONE, TWO, THREE, FOUR ---------------------------------^ ncsu-umbrella.F90(12): error #6580: Name in only-list does not exist. [TWO] use ncsu_constants, only : ZERO, ONE, TWO, THREE, FOUR --------------------------------------^ ncsu-umbrella.F90(12): error #6580: Name in only-list does not exist. [THREE] use ncsu_constants, only : ZERO, ONE, TWO, THREE, FOUR -------------------------------------------^ ncsu-umbrella.F90(12): error #6580: Name in only-list does not exist. [FOUR] use ncsu_constants, only : ZERO, ONE, TWO, THREE, FOUR --------------------------------------------------^ ncsu-umbrella.F90(122): error #6406: Conflicting attributes or multiple declaration of name. [ZERO] if (.not.(spacing(n).gt.ZERO)) call afailed("ncsu-umbrella.F90", 122) ------------------------------^ ncsu-umbrella.F90(140): error #6406: Conflicting attributes or multiple declaration of name. [ZERO] this%coeffs(1:ncoeffs) = ZERO ----------------------------^ ncsu-umbrella.F90(351): error #6406: Conflicting attributes or multiple declaration of name. [ONE] hill = SCALE*(x2 - ONE)**2 -----------------------^ ncsu-umbrella.F90(475): error #6406: Conflicting attributes or multiple declaration of name. [ZERO] v = ZERO -------^ ncsu-umbrella.F90(493): error #6406: Conflicting attributes or multiple declaration of name. [ONE] m4v_prod = ONE -----------------^ ncsu-umbrella.F90(553): error #6406: Conflicting attributes or multiple declaration of name. [ZERO] v = ZERO -------^ ncsu-umbrella.F90(556): error #6406: Conflicting attributes or multiple declaration of name. [ZERO] dv(i) = ZERO --------------^ ncsu-umbrella.F90(573): error #6406: Conflicting attributes or multiple declaration of name. [ONE] m4v_prod = ONE -----------------^ ncsu-umbrella.F90(576): error #6406: Conflicting attributes or multiple declaration of name. [ONE] m4dv_prod(i) = ONE ------------------------^ ncsu-umbrella.F90(811): error #6404: This name does not have a type, and must have an explicit type. [NF90_NOWRITE] rc = nf90_open(filename, nf90_nowrite, setid) ----------------------------^ ncsu-umbrella.F90(811): error #6404: This name does not have a type, and must have an explicit type. [NF90_OPEN] rc = nf90_open(filename, nf90_nowrite, setid) --------^ ncsu-umbrella.F90(814): error #6404: This name does not have a type, and must have an explicit type. [NF90_GLOBAL] rc = nf90_get_att(setid, nf90_global, 'nextents', nextents) ----------------------------^ ncsu-umbrella.F90(814): error #6404: This name does not have a type, and must have an explicit type. [NF90_GET_ATT] rc = nf90_get_att(setid, nf90_global, 'nextents', nextents) --------^ (3604): catastrophic error: Too many errors, exiting compilation aborted for ncsu-umbrella.F90 (code 1) make[2]: *** [ncsu-umbrella.o] Error 1 make[1]: *** [parallel] Error 2 make: *** [install] Error 2