Task 38651540

Name test_257-GPUGRID_TEST_ATM_40STEP_20261023-1-40-RND3669_0
Workunit 31595894
Created 24 Oct 2026, 1:58:36 UTC
Sent 24 Oct 2026, 2:10:09 UTC
Report deadline 29 Oct 2026, 2:10:09 UTC
Received 24 Oct 2026, 2:46:08 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 642350
Run time 27 min 23 sec
CPU time 25 min 27 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 16,408.10 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 725.92 MB
Peak swap size 9.88 GB
Peak disk usage 3.40 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
21:19:35 (372016): wrapper (7.9.26016): starting
21:19:35 (372016): 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
21:19:36 (372016): Library/usr/bin/tar.exe exited; CPU time 0.031250
21:19:36 (372016): 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\0\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\0\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
21:45:42 (372016): C:/Windows/system32/cmd.exe exited; CPU time 1527.843750
21:45:42 (372016): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 bytes in 6 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: 34519143 bytes.
Dumping objects ->
{3835248} normal block at 0x0000020C4DB012C0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835237} normal block at 0x0000020C4DB01090, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835226} normal block at 0x0000020C4DB01410, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835215} normal block at 0x0000020C4DB00B50, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835204} normal block at 0x0000020C4DB01250, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835173} normal block at 0x0000020C4DC11440, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
..\api\boinc_api.cpp(309) : {3835160} normal block at 0x0000020C4BE1D580, 8 bytes long.
 Data: <  /L    > 00 00 2F 4C 0C 02 00 00 
{3833959} normal block at 0x0000020C4BE1D530, 8 bytes long.
 Data: <&#160;c&#231;K    > A0 63 E7 4B 0C 02 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x0000020C4BDFB260, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000020C4BDFC330, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{295} normal block at 0x0000020C4BE1D170, 16 bytes long.
 Data: <(o&#225;K            > 28 6F E1 4B 0C 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000020C4BE1D120, 16 bytes long.
 Data: < o&#225;K            > 00 6F E1 4B 0C 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000020C4BE1DDB0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{292} normal block at 0x0000020C4BE1D0D0, 16 bytes long.
 Data: <&#216;n&#225;K            > D8 6E E1 4B 0C 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000020C4BE1D670, 16 bytes long.
 Data: <&#176;n&#225;K            > B0 6E E1 4B 0C 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000020C4BE1CE50, 16 bytes long.
 Data: < n&#225;K            > 88 6E E1 4B 0C 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000020C4BE1D2B0, 16 bytes long.
 Data: <`n&#225;K            > 60 6E E1 4B 0C 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000020C4BE18790, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{287} normal block at 0x0000020C4BE1CF90, 16 bytes long.
 Data: < &#149;&#225;K            > 08 95 E1 4B 0C 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000020C4BE1E170, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{285} normal block at 0x0000020C4BE1CE00, 16 bytes long.
 Data: <&#224;&#148;&#225;K            > E0 94 E1 4B 0C 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000020C4BE1C9A0, 16 bytes long.
 Data: <&#184;&#148;&#225;K            > B8 94 E1 4B 0C 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000020C4BE1CC70, 16 bytes long.
 Data: < &#148;&#225;K            > 90 94 E1 4B 0C 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000020C4BE1C8B0, 16 bytes long.
 Data: <h&#148;&#225;K            > 68 94 E1 4B 0C 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000020C4BE1CFE0, 16 bytes long.
 Data: <@&#148;&#225;K            > 40 94 E1 4B 0C 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000020C4BE1D3A0, 16 bytes long.
 Data: < &#148;&#225;K            > 18 94 E1 4B 0C 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000020C4BE1DCF0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{277} normal block at 0x0000020C4BE1CEA0, 16 bytes long.
 Data: <&#240;&#147;&#225;K            > F0 93 E1 4B 0C 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000020C4BE193F0, 320 bytes long.
 Data: <&#160;&#206;&#225;K    &#240;&#220;&#225;K    > A0 CE E1 4B 0C 02 00 00 F0 DC E1 4B 0C 02 00 00 
{275} normal block at 0x0000020C4BE1CB80, 16 bytes long.
 Data: <@n&#225;K            > 40 6E E1 4B 0C 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000020C4BE1D030, 16 bytes long.
 Data: < n&#225;K            > 18 6E E1 4B 0C 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000020C4BE1E3B0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{272} normal block at 0x0000020C4BE1C950, 16 bytes long.
 Data: <&#240;m&#225;K            > F0 6D E1 4B 0C 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000020C4BE1E2F0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{270} normal block at 0x0000020C4BE1CDB0, 16 bytes long.
 Data: <8m&#225;K            > 38 6D E1 4B 0C 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000020C4BE1CD10, 16 bytes long.
 Data: < m&#225;K            > 10 6D E1 4B 0C 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000020C4BE1D210, 16 bytes long.
 Data: <&#232;l&#225;K            > E8 6C E1 4B 0C 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000020C4BE1CF40, 16 bytes long.
 Data: <&#192;l&#225;K            > C0 6C E1 4B 0C 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000020C4BE1D350, 16 bytes long.
 Data: < l&#225;K            > 98 6C E1 4B 0C 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000020C4BE1CCC0, 16 bytes long.
 Data: <pl&#225;K            > 70 6C E1 4B 0C 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000020C4BE1D5D0, 16 bytes long.
 Data: <&#208;&#133;&#225;K            > D0 85 E1 4B 0C 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000020C4BE185D0, 40 bytes long.
 Data: <&#208;&#213;&#225;K    @ &#193;M    > D0 D5 E1 4B 0C 02 00 00 40 14 C1 4D 0C 02 00 00 
{261} normal block at 0x0000020C4BE1D300, 16 bytes long.
 Data: <Pl&#225;K            > 50 6C E1 4B 0C 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000020C4BE1C9F0, 16 bytes long.
 Data: <(l&#225;K            > 28 6C E1 4B 0C 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000020C4BE038C0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{258} normal block at 0x0000020C4BE1D080, 16 bytes long.
 Data: < l&#225;K            > 00 6C E1 4B 0C 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000020C4BE16C00, 992 bytes long.
 Data: < &#208;&#225;K    &#192;8&#224;K    > 80 D0 E1 4B 0C 02 00 00 C0 38 E0 4B 0C 02 00 00 
{93} normal block at 0x0000020C4BE036E0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{92} normal block at 0x0000020C4BE09A80, 16 bytes long.
 Data: < &#132;&#225;K            > 80 84 E1 4B 0C 02 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x0000020C4BE18480, 40 bytes long.
 Data: < &#154;&#224;K    &#224;6&#224;K    > 80 9A E0 4B 0C 02 00 00 E0 36 E0 4B 0C 02 00 00 
{70} normal block at 0x0000020C4BE095D0, 16 bytes long.
 Data: < &#234;&#255;&#154;&#246;           > 80 EA FF 9A F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000020C4BE09580, 16 bytes long.
 Data: <@&#233;&#255;&#154;&#246;           > 40 E9 FF 9A F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000020C4BE093F0, 16 bytes long.
 Data: <&#248;W&#252;&#154;&#246;           > F8 57 FC 9A F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000020C4BE093A0, 16 bytes long.
 Data: <&#216;W&#252;&#154;&#246;           > D8 57 FC 9A F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000020C4BE09350, 16 bytes long.
 Data: <P &#252;&#154;&#246;           > 50 04 FC 9A F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000020C4BE09210, 16 bytes long.
 Data: <0 &#252;&#154;&#246;           > 30 04 FC 9A F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000020C4BE099E0, 16 bytes long.
 Data: <&#224; &#252;&#154;&#246;           > E0 02 FC 9A F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000020C4BE091C0, 16 bytes long.
 Data: <  &#252;&#154;&#246;           > 10 04 FC 9A F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000020C4BE098F0, 16 bytes long.
 Data: <p &#252;&#154;&#246;           > 70 04 FC 9A F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000020C4BE09260, 16 bytes long.
 Data: < &#192;&#250;&#154;&#246;           > 18 C0 FA 9A F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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