Task 38680457

Name test_498-GPUGRID_TEST_ATM_40STEP_20261023-34-40-RND3850_0
Workunit 31622177
Created 27 Oct 2026, 0:02:15 UTC
Sent 27 Oct 2026, 0:02:19 UTC
Report deadline 1 Nov 2026, 0:02:19 UTC
Received 27 Oct 2026, 0:20:10 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 646979
Run time 16 min 33 sec
CPU time 13 min 41 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 83,070.51 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 761.27 MB
Peak swap size 10.18 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
09:03:57 (28876): wrapper (7.9.26016): starting
09:03:57 (28876): 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
09:03:58 (28876): Library/usr/bin/tar.exe exited; CPU time 0.000000
09:03:58 (28876): 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\22\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\22\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
09:19:45 (28876): C:/Windows/system32/cmd.exe exited; CPU time 821.921875
09:19:45 (28876): called boinc_finish(0)
0 bytes in 0 Free Blocks.
456 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: 18692441 bytes.
Dumping objects ->
{3835586} normal block at 0x0000022C0AE2C850, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835575} normal block at 0x0000022C0AE2C1C0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835564} normal block at 0x0000022C08E046A0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835553} normal block at 0x0000022C08E04630, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835542} normal block at 0x0000022C08E04B70, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835511} normal block at 0x0000022C0AE74460, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835500} normal block at 0x0000022C0AE8D160, 100 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) : {3835497} normal block at 0x0000022C08DFE9A0, 8 bytes long.
 Data: <  | ,   > 00 00 7C 0A 2C 02 00 00 
{3834771} normal block at 0x0000022C0AE8D020, 100 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3834061} normal block at 0x0000022C08DFF030, 8 bytes long.
 Data: < @  ,   > 90 40 E0 08 2C 02 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x0000022C08E00C70, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000022C08DF5E80, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{297} normal block at 0x0000022C08E05960, 16 bytes long.
 Data: <&#200;R  ,           > C8 52 E0 08 2C 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000022C08E06270, 16 bytes long.
 Data: < R  ,           > A0 52 E0 08 2C 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000022C08DFD7C0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{294} normal block at 0x0000022C08E05870, 16 bytes long.
 Data: <xR  ,           > 78 52 E0 08 2C 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000022C08E060E0, 16 bytes long.
 Data: <PR  ,           > 50 52 E0 08 2C 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000022C08E05690, 16 bytes long.
 Data: <(R  ,           > 28 52 E0 08 2C 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000022C08E05A50, 16 bytes long.
 Data: < R  ,           > 00 52 E0 08 2C 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000022C08E04B00, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{289} normal block at 0x0000022C08E06090, 16 bytes long.
 Data: < &#183;&#222; ,           > 88 B7 DE 08 2C 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000022C08DFCBC0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{287} normal block at 0x0000022C08E05D70, 16 bytes long.
 Data: <`&#183;&#222; ,           > 60 B7 DE 08 2C 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000022C08E05550, 16 bytes long.
 Data: <8&#183;&#222; ,           > 38 B7 DE 08 2C 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000022C08E06130, 16 bytes long.
 Data: < &#183;&#222; ,           > 10 B7 DE 08 2C 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000022C08E05EB0, 16 bytes long.
 Data: < &#182;&#222; ,           > E8 B6 DE 08 2C 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000022C08E05640, 16 bytes long.
 Data: <&#192;&#182;&#222; ,           > C0 B6 DE 08 2C 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000022C08E05500, 16 bytes long.
 Data: < &#182;&#222; ,           > 98 B6 DE 08 2C 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000022C08DFD460, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{279} normal block at 0x0000022C08E05FF0, 16 bytes long.
 Data: <p&#182;&#222; ,           > 70 B6 DE 08 2C 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000022C08DEB670, 320 bytes long.
 Data: < _  ,   `&#212;&#223; ,   > F0 5F E0 08 2C 02 00 00 60 D4 DF 08 2C 02 00 00 
{277} normal block at 0x0000022C08E054B0, 16 bytes long.
 Data: < Q  ,           > E0 51 E0 08 2C 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000022C08E05D20, 16 bytes long.
 Data: <&#184;Q  ,           > B8 51 E0 08 2C 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000022C08DFD9A0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{274} normal block at 0x0000022C08E06040, 16 bytes long.
 Data: < Q  ,           > 90 51 E0 08 2C 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000022C08DFD100, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{272} normal block at 0x0000022C08E05460, 16 bytes long.
 Data: <&#216;P  ,           > D8 50 E0 08 2C 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000022C08E05910, 16 bytes long.
 Data: <&#176;P  ,           > B0 50 E0 08 2C 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000022C08E06180, 16 bytes long.
 Data: < P  ,           > 88 50 E0 08 2C 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000022C08E05E60, 16 bytes long.
 Data: <`P  ,           > 60 50 E0 08 2C 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000022C08E06220, 16 bytes long.
 Data: <8P  ,           > 38 50 E0 08 2C 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000022C08DFEE00, 16 bytes long.
 Data: < P  ,           > 10 50 E0 08 2C 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000022C08DFEBD0, 16 bytes long.
 Data: < G  ,           > 10 47 E0 08 2C 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000022C08E04710, 40 bytes long.
 Data: <&#208; &#223; ,   `D  ,   > D0 EB DF 08 2C 02 00 00 60 44 E7 0A 2C 02 00 00 
{263} normal block at 0x0000022C08DFE9F0, 16 bytes long.
 Data: < O  ,           > F0 4F E0 08 2C 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000022C08DFF300, 16 bytes long.
 Data: <&#200;O  ,           > C8 4F E0 08 2C 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000022C08DFCDA0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{260} normal block at 0x0000022C08DFE900, 16 bytes long.
 Data: < O  ,           > A0 4F E0 08 2C 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000022C08E04FA0, 992 bytes long.
 Data: <  &#223; ,    &#205;&#223; ,   > 00 E9 DF 08 2C 02 00 00 A0 CD DF 08 2C 02 00 00 
{95} normal block at 0x0000022C08DFD340, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{94} normal block at 0x0000022C08DFF2B0, 16 bytes long.
 Data: <&#192; &#222; ,           > C0 F0 DE 08 2C 02 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x0000022C08DEF0C0, 40 bytes long.
 Data: <&#176; &#223; ,   @&#211;&#223; ,   > B0 F2 DF 08 2C 02 00 00 40 D3 DF 08 2C 02 00 00 
{70} normal block at 0x0000022C08DFE6D0, 16 bytes long.
 Data: <                > 80 EA E9 F7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000022C08DFF3F0, 16 bytes long.
 Data: <@               > 40 E9 E9 F7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000022C08DFE7C0, 16 bytes long.
 Data: < W              > F8 57 E6 F7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000022C08DFEB80, 16 bytes long.
 Data: <&#216;W              > D8 57 E6 F7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000022C08DFEEA0, 16 bytes long.
 Data: <P               > 50 04 E6 F7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000022C08DFEC20, 16 bytes long.
 Data: <0               > 30 04 E6 F7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000022C08DFEA90, 16 bytes long.
 Data: <                > E0 02 E6 F7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000022C08DFEF90, 16 bytes long.
 Data: <                > 10 04 E6 F7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000022C08DFF260, 16 bytes long.
 Data: <p               > 70 04 E6 F7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000022C08DFECC0, 16 bytes long.
 Data: < &#192;              > 18 C0 E4 F7 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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