Task 38687652

Name test_356-GPUGRID_TEST_ATM_40STEP_20261023-33-40-RND7656_0
Workunit 31629035
Created 28 Oct 2026, 8:59:27 UTC
Sent 28 Oct 2026, 8:59:38 UTC
Report deadline 2 Nov 2026, 8:59:38 UTC
Received 28 Oct 2026, 10:25:20 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 646098
Run time 42 min 21 sec
CPU time 39 min 6 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 21,607.46 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 735.67 MB
Peak swap size 8.47 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
03:43:48 (3616): wrapper (7.9.26016): starting
03:43:48 (3616): 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
03:43:50 (3616): Library/usr/bin/tar.exe exited; CPU time 0.015625
03:43:50 (3616): 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\19\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\19\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
04:24:44 (3616): C:/Windows/system32/cmd.exe exited; CPU time 2346.171875
04:24:44 (3616): 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: 58149453 bytes.
Dumping objects ->
{3835483} normal block at 0x0000018C84A0CD50, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835472} normal block at 0x0000018C82CA4970, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835461} normal block at 0x0000018C82CA4900, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835450} normal block at 0x0000018C82CA4890, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835439} normal block at 0x0000018C82CA4D60, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835408} normal block at 0x0000018C84A5B200, 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) : {3835395} normal block at 0x0000018C82CA16C0, 8 bytes long.
 Data: <  &#197;&#130;&#140;   > 00 00 C5 82 8C 01 00 00 
{3833957} normal block at 0x0000018C82CA11C0, 8 bytes long.
 Data: <&#176;A&#202;&#130;&#140;   > B0 41 CA 82 8C 01 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x0000018C82C964C0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000018C82C97D50, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{294} normal block at 0x0000018C82CA5F20, 16 bytes long.
 Data: < g&#202;&#130;&#140;           > 18 67 CA 82 8C 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000018C82CA5ED0, 16 bytes long.
 Data: <&#240;f&#202;&#130;&#140;           > F0 66 CA 82 8C 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000018C82CA04F0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{291} normal block at 0x0000018C82CA5520, 16 bytes long.
 Data: <&#200;f&#202;&#130;&#140;           > C8 66 CA 82 8C 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000018C82CA6010, 16 bytes long.
 Data: <&#160;f&#202;&#130;&#140;           > A0 66 CA 82 8C 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000018C82CA6330, 16 bytes long.
 Data: <xf&#202;&#130;&#140;           > 78 66 CA 82 8C 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000018C82CA5F70, 16 bytes long.
 Data: <Pf&#202;&#130;&#140;           > 50 66 CA 82 8C 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000018C82CA4BA0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{286} normal block at 0x0000018C82CA5E80, 16 bytes long.
 Data: < &#185;&#200;&#130;&#140;           > 08 B9 C8 82 8C 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000018C82C9FA70, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{284} normal block at 0x0000018C82CA56B0, 16 bytes long.
 Data: <&#224;&#184;&#200;&#130;&#140;           > E0 B8 C8 82 8C 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000018C82CA60B0, 16 bytes long.
 Data: <&#184;&#184;&#200;&#130;&#140;           > B8 B8 C8 82 8C 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000018C82CA5D40, 16 bytes long.
 Data: < &#184;&#200;&#130;&#140;           > 90 B8 C8 82 8C 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000018C82CA5FC0, 16 bytes long.
 Data: <h&#184;&#200;&#130;&#140;           > 68 B8 C8 82 8C 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000018C82CA5930, 16 bytes long.
 Data: <@&#184;&#200;&#130;&#140;           > 40 B8 C8 82 8C 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000018C82CA5C00, 16 bytes long.
 Data: < &#184;&#200;&#130;&#140;           > 18 B8 C8 82 8C 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000018C82C9FDD0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{276} normal block at 0x0000018C82CA54D0, 16 bytes long.
 Data: <&#240;&#183;&#200;&#130;&#140;           > F0 B7 C8 82 8C 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000018C82C8B7F0, 320 bytes long.
 Data: <&#208;T&#202;&#130;&#140;   &#208;&#253;&#201;&#130;&#140;   > D0 54 CA 82 8C 01 00 00 D0 FD C9 82 8C 01 00 00 
{274} normal block at 0x0000018C82CA62E0, 16 bytes long.
 Data: <0f&#202;&#130;&#140;           > 30 66 CA 82 8C 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000018C82CA55C0, 16 bytes long.
 Data: < f&#202;&#130;&#140;           > 08 66 CA 82 8C 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000018C82CA0190, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{271} normal block at 0x0000018C82CA5570, 16 bytes long.
 Data: <&#224;e&#202;&#130;&#140;           > E0 65 CA 82 8C 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000018C82CA0010, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{269} normal block at 0x0000018C82CA5BB0, 16 bytes long.
 Data: <(e&#202;&#130;&#140;           > 28 65 CA 82 8C 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000018C82CA5480, 16 bytes long.
 Data: < e&#202;&#130;&#140;           > 00 65 CA 82 8C 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000018C82CA6100, 16 bytes long.
 Data: <&#216;d&#202;&#130;&#140;           > D8 64 CA 82 8C 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000018C82CA6380, 16 bytes long.
 Data: <&#176;d&#202;&#130;&#140;           > B0 64 CA 82 8C 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000018C82CA5430, 16 bytes long.
 Data: < d&#202;&#130;&#140;           > 88 64 CA 82 8C 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000018C82CA5DE0, 16 bytes long.
 Data: <`d&#202;&#130;&#140;           > 60 64 CA 82 8C 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000018C82CA5660, 16 bytes long.
 Data: <&#224;I&#202;&#130;&#140;           > E0 49 CA 82 8C 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000018C82CA49E0, 40 bytes long.
 Data: <`V&#202;&#130;&#140;    &#178;&#165;&#132;&#140;   > 60 56 CA 82 8C 01 00 00 00 B2 A5 84 8C 01 00 00 
{260} normal block at 0x0000018C82CA59D0, 16 bytes long.
 Data: <@d&#202;&#130;&#140;           > 40 64 CA 82 8C 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000018C82CA5610, 16 bytes long.
 Data: < d&#202;&#130;&#140;           > 18 64 CA 82 8C 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000018C82CA00D0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{257} normal block at 0x0000018C82CA6240, 16 bytes long.
 Data: <&#240;c&#202;&#130;&#140;           > F0 63 CA 82 8C 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000018C82CA63F0, 992 bytes long.
 Data: <@b&#202;&#130;&#140;   &#208; &#202;&#130;&#140;   > 40 62 CA 82 8C 01 00 00 D0 00 CA 82 8C 01 00 00 
{92} normal block at 0x0000018C82CA03D0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{91} normal block at 0x0000018C82CA0D10, 16 bytes long.
 Data: <0&#232;&#200;&#130;&#140;           > 30 E8 C8 82 8C 01 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x0000018C82C8E830, 40 bytes long.
 Data: <  &#202;&#130;&#140;   &#208; &#202;&#130;&#140;   > 10 0D CA 82 8C 01 00 00 D0 03 CA 82 8C 01 00 00 
{69} normal block at 0x0000018C82CA1670, 16 bytes long.
 Data: < &#234;&#173;`&#246;           > 80 EA AD 60 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000018C82CA1350, 16 bytes long.
 Data: <@&#233;&#173;`&#246;           > 40 E9 AD 60 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000018C82CA0950, 16 bytes long.
 Data: <&#248;W&#170;`&#246;           > F8 57 AA 60 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000018C82CA1850, 16 bytes long.
 Data: <&#216;W&#170;`&#246;           > D8 57 AA 60 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000018C82CA1170, 16 bytes long.
 Data: <P &#170;`&#246;           > 50 04 AA 60 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000018C82CA1800, 16 bytes long.
 Data: <0 &#170;`&#246;           > 30 04 AA 60 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000018C82CA15D0, 16 bytes long.
 Data: <&#224; &#170;`&#246;           > E0 02 AA 60 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000018C82CA1030, 16 bytes long.
 Data: <  &#170;`&#246;           > 10 04 AA 60 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000018C82CA0FE0, 16 bytes long.
 Data: <p &#170;`&#246;           > 70 04 AA 60 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000018C82CA14E0, 16 bytes long.
 Data: < &#192;&#168;`&#246;           > 18 C0 A8 60 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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