Task 38688235

Name test_887-GPUGRID_TEST_ATM_40STEP_20261023-33-40-RND6111_0
Workunit 31629595
Created 28 Oct 2026, 12:35:28 UTC
Sent 28 Oct 2026, 12:35:30 UTC
Report deadline 2 Nov 2026, 12:35:30 UTC
Received 28 Oct 2026, 13:10:47 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 638061
Run time 34 min 34 sec
CPU time 33 min 10 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 15,394.34 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 745.80 MB
Peak swap size 12.90 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
07:36:40 (12236): wrapper (7.9.26016): starting
07:36:40 (12236): 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
07:36:41 (12236): Library/usr/bin/tar.exe exited; CPU time 0.000000
07:36:41 (12236): 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\6\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\6\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
08:10:11 (12236): C:/Windows/system32/cmd.exe exited; CPU time 1990.390625
08:10:11 (12236): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 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: 30431459 bytes.
Dumping objects ->
{3835227} normal block at 0x0000020FCB274600, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835216} normal block at 0x0000020FCB274520, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835205} normal block at 0x0000020FCB2744B0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835194} normal block at 0x0000020FCB274440, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835183} normal block at 0x0000020FCB274130, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835152} normal block at 0x0000020FCD057770, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835141} normal block at 0x0000020FCD06E110, 102 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) : {3835138} normal block at 0x0000020FCB26EE40, 8 bytes long.
 Data: <  c&#203;    > 00 00 63 CB 0F 02 00 00 
{3834536} normal block at 0x0000020FCD06E8A0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833955} normal block at 0x0000020FCB26E170, 8 bytes long.
 Data: <&#208;D &#205;    > D0 44 0B CD 0F 02 00 00 
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x0000020FCB270910, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000020FCB25F7B0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{293} normal block at 0x0000020FCB275850, 16 bytes long.
 Data: <(b'&#203;            > 28 62 27 CB 0F 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000020FCB275760, 16 bytes long.
 Data: < b'&#203;            > 00 62 27 CB 0F 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000020FCB26F820, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{290} normal block at 0x0000020FCB275530, 16 bytes long.
 Data: <&#216;a'&#203;            > D8 61 27 CB 0F 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000020FCB2754E0, 16 bytes long.
 Data: <&#176;a'&#203;            > B0 61 27 CB 0F 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000020FCB275990, 16 bytes long.
 Data: < a'&#203;            > 88 61 27 CB 0F 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000020FCB275300, 16 bytes long.
 Data: <`a'&#203;            > 60 61 27 CB 0F 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000020FCB274050, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{285} normal block at 0x0000020FCB2756C0, 16 bytes long.
 Data: <&#248;&#180;%&#203;            > F8 B4 25 CB 0F 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000020FCB26F520, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{283} normal block at 0x0000020FCB2755D0, 16 bytes long.
 Data: <&#208;&#180;%&#203;            > D0 B4 25 CB 0F 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000020FCB275C60, 16 bytes long.
 Data: <&#168;&#180;%&#203;            > A8 B4 25 CB 0F 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000020FCB275120, 16 bytes long.
 Data: < &#180;%&#203;            > 80 B4 25 CB 0F 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000020FCB2752B0, 16 bytes long.
 Data: <X&#180;%&#203;            > 58 B4 25 CB 0F 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000020FCB274FE0, 16 bytes long.
 Data: <0&#180;%&#203;            > 30 B4 25 CB 0F 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000020FCB275AD0, 16 bytes long.
 Data: < &#180;%&#203;            > 08 B4 25 CB 0F 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000020FCB26F100, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{275} normal block at 0x0000020FCB275C10, 16 bytes long.
 Data: <&#224;&#179;%&#203;            > E0 B3 25 CB 0F 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000020FCB25B3E0, 320 bytes long.
 Data: < \'&#203;     &#241;&&#203;    > 10 5C 27 CB 0F 02 00 00 00 F1 26 CB 0F 02 00 00 
{273} normal block at 0x0000020FCB275D00, 16 bytes long.
 Data: <@a'&#203;            > 40 61 27 CB 0F 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000020FCB275800, 16 bytes long.
 Data: < a'&#203;            > 18 61 27 CB 0F 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000020FCB26F460, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{270} normal block at 0x0000020FCB275260, 16 bytes long.
 Data: <&#240;`'&#203;            > F0 60 27 CB 0F 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000020FCB26F2E0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{268} normal block at 0x0000020FCB275940, 16 bytes long.
 Data: <8`'&#203;            > 38 60 27 CB 0F 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000020FCB275670, 16 bytes long.
 Data: < `'&#203;            > 10 60 27 CB 0F 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000020FCB275620, 16 bytes long.
 Data: <&#232;_'&#203;            > E8 5F 27 CB 0F 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000020FCB2750D0, 16 bytes long.
 Data: <&#192;_'&#203;            > C0 5F 27 CB 0F 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000020FCB275080, 16 bytes long.
 Data: < _'&#203;            > 98 5F 27 CB 0F 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000020FCB275580, 16 bytes long.
 Data: <p_'&#203;            > 70 5F 27 CB 0F 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000020FCB275E40, 16 bytes long.
 Data: <pF'&#203;            > 70 46 27 CB 0F 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000020FCB274670, 40 bytes long.
 Data: <@^'&#203;    pw &#205;    > 40 5E 27 CB 0F 02 00 00 70 77 05 CD 0F 02 00 00 
{259} normal block at 0x0000020FCB275710, 16 bytes long.
 Data: <P_'&#203;            > 50 5F 27 CB 0F 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000020FCB274F90, 16 bytes long.
 Data: <(_'&#203;            > 28 5F 27 CB 0F 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000020FCB26FF40, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{256} normal block at 0x0000020FCB275210, 16 bytes long.
 Data: < _'&#203;            > 00 5F 27 CB 0F 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000020FCB275F00, 992 bytes long.
 Data: < R'&#203;    @&#255;&&#203;    > 10 52 27 CB 0F 02 00 00 40 FF 26 CB 0F 02 00 00 
{91} normal block at 0x0000020FCB26FD00, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{90} normal block at 0x0000020FCB26EE90, 16 bytes long.
 Data: <&#176;&#253;%&#203;            > B0 FD 25 CB 0F 02 00 00 00 00 00 00 00 00 00 00 
{89} normal block at 0x0000020FCB25FDB0, 40 bytes long.
 Data: < &#238;&&#203;     &#253;&&#203;    > 90 EE 26 CB 0F 02 00 00 00 FD 26 CB 0F 02 00 00 
{68} normal block at 0x0000020FCB26EDF0, 16 bytes long.
 Data: < &#234;&#137;&#191;&#247;           > 80 EA 89 BF F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000020FCB26E6C0, 16 bytes long.
 Data: <@&#233;&#137;&#191;&#247;           > 40 E9 89 BF F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000020FCB26EEE0, 16 bytes long.
 Data: <&#248;W&#134;&#191;&#247;           > F8 57 86 BF F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000020FCB26E120, 16 bytes long.
 Data: <&#216;W&#134;&#191;&#247;           > D8 57 86 BF F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000020FCB26EC60, 16 bytes long.
 Data: <P &#134;&#191;&#247;           > 50 04 86 BF F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000020FCB26EDA0, 16 bytes long.
 Data: <0 &#134;&#191;&#247;           > 30 04 86 BF F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000020FCB26E620, 16 bytes long.
 Data: <&#224; &#134;&#191;&#247;           > E0 02 86 BF F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000020FCB26E080, 16 bytes long.
 Data: <  &#134;&#191;&#247;           > 10 04 86 BF F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000020FCB26EF30, 16 bytes long.
 Data: <p &#134;&#191;&#247;           > 70 04 86 BF F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000020FCB26E0D0, 16 bytes long.
 Data: < &#192;&#132;&#191;&#247;           > 18 C0 84 BF F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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