Re: [AMBER-Developers] 31 March release candidates for Amber

From: Volodymyr Babin <vbabin.ncsu.edu>
Date: Fri, 2 Apr 2010 12:54:46 -0400 (EDT)

Hello everyone:

[not 100% success, hence reporting it here instead of the wiki;
serial only so far]

<tests are running for a couple hours(!) already, and hence mainly
 build experience below>

FreeBSD 8.0 on Intel em64t (Xeon) gcc 4.4.2

-----------------------------------------------------------------------------

0. configure -noX11 gnu -- OK (but there was a minor annoyance: 4.4.2
   binaries are named gcc44/gfortran44/g++44 contrary to what is expected)

-----------------------------------------------------------------------------

1. 'make install' stops with

(cd leap && make install )
"Makefile", line 14: Missing dependency operator
"Makefile", line 17: Need an operator
make: fatal errors encountered -- cannot continue
*** Error code 1

siwtched to 'gmake', it went through down to the point

-----------------------------------------------------------------------------

2. cd objfun && make
make[3]: Entering directory
`/usr/home/vb/31mar10/amber11/AmberTools/src/gleap/mortsrc/objfun'
g++ -c -O2 -Wall -W -D_REENTRANT -I.. -I../../freelib -I..
-I../../freelib -o wrapper.o wrapper.cpp
In file included from ../ambfmt/energee.hpp:7,
                 from ../ambfmt/prmtop.hpp:6,
                 from ../ambfmt.hpp:6,
                 from wrapper.cpp:6:
../ambfmt/../../../sff/sff.h:31: error: 'FILE' does not name a type
../ambfmt/../../../sff/sff.h:105: error: expected initializer before '*'
token
../ambfmt/../../../sff/sff.h:139: error: 'FILE_T' has not been declared
make[3]: *** [wrapper.o] Error 1

added "#include <stdio.h> to sff/sff.h and it went through

-----------------------------------------------------------------------------

3. Entering directory
`/usr/home/vb/31mar10/amber11/AmberTools/src/gleap/plugins'

....

g++ -c -O2 -Wall -W -D_REENTRANT -I. -I../mortsrc -I../mortsrc/guilib
-I../freelib -I. -I../mortsrc -I../mortsrc/guilib -I../freelib -o
energy.o energy.cpp
In file included from ../mortsrc/guilib.hpp:7,
                 from energy.hpp:4,
                 from energy.cpp:7:
../mortsrc/guilib/console.hpp:28: error: expected unqualified-id before
'!' token
../mortsrc/guilib/console.hpp:28: error: expected ')' before '!' token
make[2]: *** [energy.o] Error 1

"getchar" appears to be a macro, and hence I had to add

#ifdef getchar
# undef getchar
#endif

before "virtual getchar()" in mortsrc/guilib/console.hpp to make it
through

-----------------------------------------------------------------------------

4. make[2]: Entering directory
`/usr/home/vb/31mar10/amber11/AmberTools/src/gleap/leapsrc'
g++ -c -O2 -Wall -W -D_REENTRANT -I../mortsrc -I../mortsrc/guilib
-I../plugins -I../freelib -I. -o strmain.o strmain.cpp
g++ -c -O2 -Wall -W -D_REENTRANT -I../mortsrc -I../mortsrc/guilib
-I../plugins -I../freelib -I. -o strbuff.o strbuff.cpp
In file included from ../freelib/readline/readline.h:37,
                 from strbuff.cpp:2:
../freelib/readline/rltypedefs.h:65: error: typedef 'rl_getc_func_t' is
initialized (use decltype instead)
../freelib/readline/rltypedefs.h:65: error: 'FILE' was not declared in
this scope
../freelib/readline/rltypedefs.h:65: error: expected primary-expression
before ')' token
In file included from strbuff.cpp:2:
../freelib/readline/readline.h:416: warning: 'rl_getc' initialized and
declared 'extern'
../freelib/readline/readline.h:416: error: 'FILE' was not declared in
this scope
../freelib/readline/readline.h:416: error: expected primary-expression
before ')' token
../freelib/readline/readline.h:532: error: expected initializer before
'*' token
../freelib/readline/readline.h:533: error: expected initializer before
'*' token
../freelib/readline/readline.h:555: error: expected initializer before
'*' token
../freelib/readline/readline.h:827: error: ISO C++ forbids declaration
of 'FILE' with no type
../freelib/readline/readline.h:827: error: expected ';' before '*' token
../freelib/readline/readline.h:828: error: ISO C++ forbids declaration
of 'FILE' with no type
../freelib/readline/readline.h:828: error: expected ';' before '*' token
make[2]: *** [strbuff.o] Error 1
make[2]: Leaving directory
`/usr/home/vb/31mar10/amber11/AmberTools/src/gleap/leapsrc'
make[1]: *** [sleap] Error 2
make[1]: Leaving directory
`/usr/home/vb/31mar10/amber11/AmberTools/src/gleap'
gmake: *** [serial] Error 2

had to add "#include <cstdio>" to strmain and strbuf to make it happier

#############################################################################

Installation of AmberTools, version 1.3 serial is complete at Fri Apr 2
11:51:23 EDT 2010.

#############################################################################

ran "make install" in amber11/src:

-----------------------------------------------------------------------------

5. gcc -O3 -mtune=generic -msse -mfpmath=sse -D_FILE_OFFSET_BITS=64
-D_LARGEFILE_SOURCE -DBINTRAJ -c pmemd_clib.c
pmemd_clib.c: In function 'unlimit_stack_':
pmemd_clib.c:133: error: 'uint64_t' undeclared (first use in this
function)
pmemd_clib.c:133: error: (Each undeclared identifier is reported only
once
pmemd_clib.c:133: error: for each function it appears in.)
pmemd_clib.c:133: error: expected ')' before numeric constant
pmemd_clib.c:140: error: expected ')' before numeric constant
make[2]: *** [pmemd_clib.o] Error 1
make[2]: Leaving directory `/usr/home/vb/31mar10/amber11/src/pmemd/src'
make[1]: *** [install] Error 2
make[1]: Leaving directory `/usr/home/vb/31mar10/amber11/src/pmemd'
gmake: *** [serial] Error 2

added "#include <sys/types.h>" to pmemd/src/pmemd_clib.c (as suggested
by "man getrlimit")

#############################################################################

Installation of Amber11 (serial) is complete at Fri Apr 2 12:02:41 EDT 2010.

#############################################################################

test: make test.serial -- is running 2nd hour in a row (mostly passing
everytyhing)

-----------------------------------------------------------------------------

#############################################################################

AmberTools/test : make test.serial

<many tests PASSED>

==============================================================
diffing ./out.save/ranp.out.save with ranp.out
PASSED
==============================================================
cd pbsa_npb && ./test
./test: not found
make: *** [test.pbsa] Error 127
[vb.monkey /usr/home/vb/31mar10/amber11/AmberTools/test]$

there is no /bin/bash; bash is in /usr/local/bin instead; PASSED
with correct path; re-running the tests (hours)

Hope this is useful,

Volodymyr


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Received on Fri Apr 02 2010 - 10:00:02 PDT
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