Task 38666539

Name test_323-GPUGRID_TEST_ATM_40STEP_20261023-11-40-RND4488_0
Workunit 31609416
Created 25 Oct 2026, 3:43:04 UTC
Sent 25 Oct 2026, 4:04:26 UTC
Report deadline 30 Oct 2026, 4:04:26 UTC
Received 25 Oct 2026, 5:38:51 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 618954
Run time 57 min 53 sec
CPU time 57 min 53 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 12,741.16 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 715.41 MB
Peak swap size 18.92 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.5</core_client_version>
<![CDATA[
<stderr_txt>
05:44:40 (15848): wrapper (7.9.26016): starting
05:44:40 (15848): 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
05:44:42 (15848): Library/usr/bin/tar.exe exited; CPU time 0.000000
05:44:42 (15848): 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\171\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\171\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
06:38:29 (15848): C:/Windows/system32/cmd.exe exited; CPU time 3473.890625
06:38:29 (15848): called boinc_finish(0)
0 bytes in 0 Free Blocks.
536 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: 88540643 bytes.
Dumping objects ->
{3835226} normal block at 0x0000022A012DB370, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835215} normal block at 0x0000022A012DB300, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835204} normal block at 0x0000022A012DB220, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835193} normal block at 0x0000022A012DB140, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835182} normal block at 0x0000022A012DB0D0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835151} normal block at 0x0000022A0307A130, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835140} normal block at 0x0000022A0130EB10, 140 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) : {3835137} normal block at 0x0000022A012B30F0, 8 bytes long.
 Data: <    *   > 00 00 1F 01 2A 02 00 00 
{3834534} normal block at 0x0000022A0130ED80, 140 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833949} normal block at 0x0000022A012B2DD0, 8 bytes long.
 Data: <0j  *   > 30 6A 10 03 2A 02 00 00 
..\zip\boinc_zip.cpp(122) : {306} normal block at 0x0000022A0129DCE0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000022A012A6F00, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{290} normal block at 0x0000022A012B7A70, 16 bytes long.
 Data: <&#168;v+ *           > A8 76 2B 01 2A 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000022A012B8330, 16 bytes long.
 Data: < v+ *           > 80 76 2B 01 2A 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000022A012AA3A0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{287} normal block at 0x0000022A012B80B0, 16 bytes long.
 Data: <Xv+ *           > 58 76 2B 01 2A 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000022A012B7E30, 16 bytes long.
 Data: <0v+ *           > 30 76 2B 01 2A 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000022A012B81F0, 16 bytes long.
 Data: < v+ *           > 08 76 2B 01 2A 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000022A012B8010, 16 bytes long.
 Data: <&#224;u+ *           > E0 75 2B 01 2A 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000022A012B21A0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{282} normal block at 0x0000022A012B83D0, 16 bytes long.
 Data: <&#248;&#210;) *           > F8 D2 29 01 2A 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000022A012AAE80, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{280} normal block at 0x0000022A012B7B10, 16 bytes long.
 Data: <&#208;&#210;) *           > D0 D2 29 01 2A 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000022A012B8150, 16 bytes long.
 Data: <&#168;&#210;) *           > A8 D2 29 01 2A 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000022A012B7C50, 16 bytes long.
 Data: < &#210;) *           > 80 D2 29 01 2A 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000022A012B8100, 16 bytes long.
 Data: <X&#210;) *           > 58 D2 29 01 2A 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000022A012B7ED0, 16 bytes long.
 Data: <0&#210;) *           > 30 D2 29 01 2A 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000022A012B8290, 16 bytes long.
 Data: < &#210;) *           > 08 D2 29 01 2A 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000022A012AAA60, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{272} normal block at 0x0000022A012B86A0, 16 bytes long.
 Data: <&#224;&#209;) *           > E0 D1 29 01 2A 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000022A0129D1E0, 320 bytes long.
 Data: <&#160;&#134;+ *   `&#170;* *   > A0 86 2B 01 2A 02 00 00 60 AA 2A 01 2A 02 00 00 
{270} normal block at 0x0000022A012B8510, 16 bytes long.
 Data: <&#192;u+ *           > C0 75 2B 01 2A 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000022A012B7DE0, 16 bytes long.
 Data: < u+ *           > 98 75 2B 01 2A 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000022A012AA820, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{267} normal block at 0x0000022A012B86F0, 16 bytes long.
 Data: <pu+ *           > 70 75 2B 01 2A 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000022A012AACA0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{265} normal block at 0x0000022A012B7FC0, 16 bytes long.
 Data: <&#184;t+ *           > B8 74 2B 01 2A 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000022A012B7B60, 16 bytes long.
 Data: < t+ *           > 90 74 2B 01 2A 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000022A012B82E0, 16 bytes long.
 Data: <ht+ *           > 68 74 2B 01 2A 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000022A012B2920, 16 bytes long.
 Data: <@t+ *           > 40 74 2B 01 2A 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000022A012B28D0, 16 bytes long.
 Data: < t+ *           > 18 74 2B 01 2A 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000022A012B2740, 16 bytes long.
 Data: <&#240;s+ *           > F0 73 2B 01 2A 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000022A012B26A0, 16 bytes long.
 Data: < "+ *           > 10 22 2B 01 2A 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000022A012B2210, 40 bytes long.
 Data: <&#160;&+ *   0&#161;  *   > A0 26 2B 01 2A 02 00 00 30 A1 07 03 2A 02 00 00 
{256} normal block at 0x0000022A012B2650, 16 bytes long.
 Data: <&#208;s+ *           > D0 73 2B 01 2A 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000022A012B3370, 16 bytes long.
 Data: <&#168;s+ *           > A8 73 2B 01 2A 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x0000022A012AAC40, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{253} normal block at 0x0000022A012B2E70, 16 bytes long.
 Data: < s+ *           > 80 73 2B 01 2A 02 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x0000022A012B7380, 992 bytes long.
 Data: <p.+ *   @&#172;* *   > 70 2E 2B 01 2A 02 00 00 40 AC 2A 01 2A 02 00 00 
{88} normal block at 0x0000022A012AA7C0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{87} normal block at 0x0000022A012B2A10, 16 bytes long.
 Data: <@ + *           > 40 1D 2B 01 2A 02 00 00 00 00 00 00 00 00 00 00 
{86} normal block at 0x0000022A012B1D40, 40 bytes long.
 Data: < *+ *   &#192;&#167;* *   > 10 2A 2B 01 2A 02 00 00 C0 A7 2A 01 2A 02 00 00 
{65} normal block at 0x0000022A012B2A60, 16 bytes long.
 Data: < &#234;SE&#246;           > 80 EA 53 45 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000022A012B2F60, 16 bytes long.
 Data: <@&#233;SE&#246;           > 40 E9 53 45 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000022A012B33C0, 16 bytes long.
 Data: <&#248;WPE&#246;           > F8 57 50 45 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000022A012B3140, 16 bytes long.
 Data: <&#216;WPE&#246;           > D8 57 50 45 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000022A012B2BA0, 16 bytes long.
 Data: <P PE&#246;           > 50 04 50 45 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000022A012B29C0, 16 bytes long.
 Data: <0 PE&#246;           > 30 04 50 45 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000022A012B2970, 16 bytes long.
 Data: <&#224; PE&#246;           > E0 02 50 45 F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000022A012B2F10, 16 bytes long.
 Data: <  PE&#246;           > 10 04 50 45 F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000022A012B2CE0, 16 bytes long.
 Data: <p PE&#246;           > 70 04 50 45 F6 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x0000022A012B2C40, 16 bytes long.
 Data: < &#192;NE&#246;           > 18 C0 4E 45 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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