Task 38679227

Name test_242-GPUGRID_TEST_ATM_40STEP_20261023-23-40-RND0592_0
Workunit 31621015
Created 26 Oct 2026, 19:52:32 UTC
Sent 26 Oct 2026, 19:52:40 UTC
Report deadline 31 Oct 2026, 19:52:40 UTC
Received 26 Oct 2026, 21:56:25 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 627984
Run time 35 min 23 sec
CPU time 35 min 23 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 14,104.10 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 728.69 MB
Peak swap size 14.34 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
23:20:40 (9480): wrapper (7.9.26016): starting
23:20:40 (9480): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A34_A12_0.pdb
QB_A34_A12_0.xml
QB_A34_A12_input.yaml
QB_A34_A12.pdb
QB_A34_A12.prmtop
QB_A34_A12_sys.xml
run.bat
run.sh
23:20:42 (9480): Library/usr/bin/tar.exe exited; CPU time 0.000000
23:20:42 (9480): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
  WARNING: The script pyaml.exe is installed in 'C:\ProgramData\BOINC\slots\42\Scripts' which is not on PATH.
  Consider adding this directory to PATH or, if you prefer to suppress this warning, use --no-warn-script-location.
  WARNING: The scripts abfe_production.exe, abfe_structprep.exe, make_atm_system_from_amber.exe, make_atm_system_from_pdb.exe, make_atm_system_from_rcpt_lig.exe, rbfe_production.exe and rbfe_structprep.exe are installed in 'C:\ProgramData\BOINC\slots\42\Scripts' which is not on PATH.
  Consider adding this directory to PATH or, if you prefer to suppress this warning, use --no-warn-script-location.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
tar: run.log: file changed as we read it
tar: r*/*.dcd: Cannot stat: No such file or directory
tar: r*/*.xtc: Cannot stat: No such file or directory
tar: Exiting with failure status due to previous errors
23:55:36 (9480): C:/Windows/system32/cmd.exe exited; CPU time 2123.843750
23:55:36 (9480): called boinc_finish(0)
0 bytes in 0 Free Blocks.
616 bytes in 8 Normal Blocks.
1144 bytes in 1 CRT Blocks.
0 bytes in 0 Ignore Blocks.
0 bytes in 0 Client Blocks.
Largest number used: 0 bytes.
Total allocations: 56247035 bytes.
Dumping objects ->
{3835234} normal block at 0x000001D40B200FE0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835223} normal block at 0x000001D40B201440, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835212} normal block at 0x000001D40B201980, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835201} normal block at 0x000001D40B201130, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835190} normal block at 0x000001D40B201D70, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835159} normal block at 0x000001D40B2F2DA0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835148} normal block at 0x000001D40B351140, 180 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
..\api\boinc_api.cpp(309) : {3835145} normal block at 0x000001D409567350, 8 bytes long.
 Data: <  R	&#212;   > 00 00 52 09 D4 01 00 00 
{3834543} normal block at 0x000001D40B350C90, 180 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833943} normal block at 0x000001D4095673F0, 8 bytes long.
 Data: <&#144; 5 &#212;   > 90 1A 35 0B D4 01 00 00 
..\zip\boinc_zip.cpp(122) : {303} normal block at 0x000001D409571060, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001D40955AEA0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{287} normal block at 0x000001D409572D20, 16 bytes long.
 Data: <&#168;BW	&#212;           > A8 42 57 09 D4 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001D409572CD0, 16 bytes long.
 Data: <&#128;BW	&#212;           > 80 42 57 09 D4 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001D40956D290, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{284} normal block at 0x000001D409572280, 16 bytes long.
 Data: <XBW	&#212;           > 58 42 57 09 D4 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001D409572550, 16 bytes long.
 Data: <0BW	&#212;           > 30 42 57 09 D4 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001D409572B90, 16 bytes long.
 Data: < BW	&#212;           > 08 42 57 09 D4 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001D409572230, 16 bytes long.
 Data: <&#224;AW	&#212;           > E0 41 57 09 D4 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001D40956BB10, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{279} normal block at 0x000001D4095720F0, 16 bytes long.
 Data: <&#200;&#187;U	&#212;           > C8 BB 55 09 D4 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001D40956CED0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{277} normal block at 0x000001D4095724B0, 16 bytes long.
 Data: <&#160;&#187;U	&#212;           > A0 BB 55 09 D4 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001D409572AF0, 16 bytes long.
 Data: <x&#187;U	&#212;           > 78 BB 55 09 D4 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001D4095720A0, 16 bytes long.
 Data: <P&#187;U	&#212;           > 50 BB 55 09 D4 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001D409572C80, 16 bytes long.
 Data: <(&#187;U	&#212;           > 28 BB 55 09 D4 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001D409572050, 16 bytes long.
 Data: < &#187;U	&#212;           > 00 BB 55 09 D4 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001D409572460, 16 bytes long.
 Data: <&#216;&#186;U	&#212;           > D8 BA 55 09 D4 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001D40956CE70, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{269} normal block at 0x000001D4095725A0, 16 bytes long.
 Data: <&#176;&#186;U	&#212;           > B0 BA 55 09 D4 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001D40955BAB0, 320 bytes long.
 Data: <&#160;%W	&#212;   p&#206;V	&#212;   > A0 25 57 09 D4 01 00 00 70 CE 56 09 D4 01 00 00 
{267} normal block at 0x000001D4095729B0, 16 bytes long.
 Data: <&#192;AW	&#212;           > C0 41 57 09 D4 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001D4095721E0, 16 bytes long.
 Data: < AW	&#212;           > 98 41 57 09 D4 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001D40956D170, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{264} normal block at 0x000001D409572B40, 16 bytes long.
 Data: <pAW	&#212;           > 70 41 57 09 D4 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001D40956D770, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{262} normal block at 0x000001D409572960, 16 bytes long.
 Data: <&#184;@W	&#212;           > B8 40 57 09 D4 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001D409572320, 16 bytes long.
 Data: <&#144;@W	&#212;           > 90 40 57 09 D4 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001D409572AA0, 16 bytes long.
 Data: <h@W	&#212;           > 68 40 57 09 D4 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001D409572910, 16 bytes long.
 Data: <@@W	&#212;           > 40 40 57 09 D4 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001D4095722D0, 16 bytes long.
 Data: < @W	&#212;           > 18 40 57 09 D4 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001D409572A50, 16 bytes long.
 Data: <&#240;?W	&#212;           > F0 3F 57 09 D4 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000001D409572140, 16 bytes long.
 Data: <&#160;&#186;V	&#212;           > A0 BA 56 09 D4 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x000001D40956BAA0, 40 bytes long.
 Data: <@!W	&#212;   &#160;-/ &#212;   > 40 21 57 09 D4 01 00 00 A0 2D 2F 0B D4 01 00 00 
{253} normal block at 0x000001D409572A00, 16 bytes long.
 Data: <&#208;?W	&#212;           > D0 3F 57 09 D4 01 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x000001D4095727D0, 16 bytes long.
 Data: <&#168;?W	&#212;           > A8 3F 57 09 D4 01 00 00 00 00 00 00 00 00 00 00 
{251} normal block at 0x000001D40956D710, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{250} normal block at 0x000001D409572780, 16 bytes long.
 Data: <&#128;?W	&#212;           > 80 3F 57 09 D4 01 00 00 00 00 00 00 00 00 00 00 
{249} normal block at 0x000001D409573F80, 992 bytes long.
 Data: <&#128;'W	&#212;    &#215;V	&#212;   > 80 27 57 09 D4 01 00 00 10 D7 56 09 D4 01 00 00 
{85} normal block at 0x000001D40956CAB0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{84} normal block at 0x000001D409567620, 16 bytes long.
 Data: <0&#186;V	&#212;           > 30 BA 56 09 D4 01 00 00 00 00 00 00 00 00 00 00 
{83} normal block at 0x000001D40956BA30, 40 bytes long.
 Data: < vV	&#212;   &#176;&#202;V	&#212;   > 20 76 56 09 D4 01 00 00 B0 CA 56 09 D4 01 00 00 
{62} normal block at 0x000001D409567850, 16 bytes long.
 Data: <&#128;&#234;&#210;~&#246;           > 80 EA D2 7E F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001D409566C70, 16 bytes long.
 Data: <@&#233;&#210;~&#246;           > 40 E9 D2 7E F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001D409567710, 16 bytes long.
 Data: <&#248;W&#207;~&#246;           > F8 57 CF 7E F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001D409566C20, 16 bytes long.
 Data: <&#216;W&#207;~&#246;           > D8 57 CF 7E F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000001D409566D60, 16 bytes long.
 Data: <P &#207;~&#246;           > 50 04 CF 7E F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000001D409567260, 16 bytes long.
 Data: <0 &#207;~&#246;           > 30 04 CF 7E F6 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x000001D409566B80, 16 bytes long.
 Data: <&#224; &#207;~&#246;           > E0 02 CF 7E F6 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x000001D4095670D0, 16 bytes long.
 Data: <  &#207;~&#246;           > 10 04 CF 7E F6 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x000001D409566B30, 16 bytes long.
 Data: <p &#207;~&#246;           > 70 04 CF 7E F6 7F 00 00 00 00 00 00 00 00 00 00 
{53} normal block at 0x000001D4095673A0, 16 bytes long.
 Data: < &#192;&#205;~&#246;           > 18 C0 CD 7E F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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