Task 38663108

Name test_486-GPUGRID_TEST_ATM_40STEP_20261023-7-40-RND5118_0
Workunit 31606336
Created 24 Oct 2026, 21:19:48 UTC
Sent 24 Oct 2026, 21:19:54 UTC
Report deadline 29 Oct 2026, 21:19:54 UTC
Received 24 Oct 2026, 21:45:11 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 648286
Run time 24 min 23 sec
CPU time 23 min 19 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 35,585.07 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 700.06 MB
Peak swap size 7.01 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
23:21:16 (12752): wrapper (7.9.26016): starting
23:21:16 (12752): 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
23:21:18 (12752): Library/usr/bin/tar.exe exited; CPU time 0.015625
23:21:18 (12752): 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
23:44:33 (12752): C:/Windows/system32/cmd.exe exited; CPU time 1399.046875
23:44:33 (12752): called boinc_finish(0)
0 bytes in 0 Free Blocks.
576 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: 16304117 bytes.
Dumping objects ->
{3835261} normal block at 0x0000017A8FDF8FB0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835250} normal block at 0x0000017A8FDF8990, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835239} normal block at 0x0000017A8FDF9090, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835228} normal block at 0x0000017A8FDF8A00, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835217} normal block at 0x0000017A8FDF8AE0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835186} normal block at 0x0000017A91A5A210, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835175} normal block at 0x0000017A918CEB80, 160 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) : {3835172} normal block at 0x0000017A8FDCF760, 8 bytes long.
 Data: <  &#214; z   > 00 00 D6 8F 7A 01 00 00 
{3834575} normal block at 0x0000017A918CE800, 160 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833981} normal block at 0x0000017A8FDCF0D0, 8 bytes long.
 Data: <&#240;.&#174;&#145;z   > F0 2E AE 91 7A 01 00 00 
..\zip\boinc_zip.cpp(122) : {322} normal block at 0x0000017A8FDD1390, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{307} normal block at 0x0000017A8FDC6A80, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{306} normal block at 0x0000017A8FDD5940, 16 bytes long.
 Data: < e&#221; z           > 98 65 DD 8F 7A 01 00 00 00 00 00 00 00 00 00 00 
{305} normal block at 0x0000017A8FDD61B0, 16 bytes long.
 Data: <pe&#221; z           > 70 65 DD 8F 7A 01 00 00 00 00 00 00 00 00 00 00 
{304} normal block at 0x0000017A8FDCDBC0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{303} normal block at 0x0000017A8FDD5C10, 16 bytes long.
 Data: <He&#221; z           > 48 65 DD 8F 7A 01 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x0000017A8FDD5760, 16 bytes long.
 Data: < e&#221; z           > 20 65 DD 8F 7A 01 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x0000017A8FDD58A0, 16 bytes long.
 Data: <&#248;d&#221; z           > F8 64 DD 8F 7A 01 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x0000017A8FDD57B0, 16 bytes long.
 Data: <&#208;d&#221; z           > D0 64 DD 8F 7A 01 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x0000017A8FDCFB40, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{298} normal block at 0x0000017A8FDD5BC0, 16 bytes long.
 Data: <x&#245;&#219; z           > 78 F5 DB 8F 7A 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000017A8FDCD380, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{296} normal block at 0x0000017A8FDD5B70, 16 bytes long.
 Data: <P&#245;&#219; z           > 50 F5 DB 8F 7A 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000017A8FDD5620, 16 bytes long.
 Data: <(&#245;&#219; z           > 28 F5 DB 8F 7A 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000017A8FDD5E40, 16 bytes long.
 Data: < &#245;&#219; z           > 00 F5 DB 8F 7A 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000017A8FDD5DA0, 16 bytes long.
 Data: <&#216;&#244;&#219; z           > D8 F4 DB 8F 7A 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000017A8FDD58F0, 16 bytes long.
 Data: <&#176;&#244;&#219; z           > B0 F4 DB 8F 7A 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000017A8FDD55D0, 16 bytes long.
 Data: < &#244;&#219; z           > 88 F4 DB 8F 7A 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000017A8FDCD260, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{288} normal block at 0x0000017A8FDD6160, 16 bytes long.
 Data: <`&#244;&#219; z           > 60 F4 DB 8F 7A 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000017A8FDBF460, 320 bytes long.
 Data: <`a&#221; z   `&#210;&#220; z   > 60 61 DD 8F 7A 01 00 00 60 D2 DC 8F 7A 01 00 00 
{286} normal block at 0x0000017A8FDD5AD0, 16 bytes long.
 Data: <&#176;d&#221; z           > B0 64 DD 8F 7A 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000017A8FDD5FD0, 16 bytes long.
 Data: < d&#221; z           > 88 64 DD 8F 7A 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000017A8FDCD4A0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{283} normal block at 0x0000017A8FDD5710, 16 bytes long.
 Data: <`d&#221; z           > 60 64 DD 8F 7A 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000017A8FDCDB60, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{281} normal block at 0x0000017A8FDD56C0, 16 bytes long.
 Data: <&#168;c&#221; z           > A8 63 DD 8F 7A 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000017A8FDD59E0, 16 bytes long.
 Data: < c&#221; z           > 80 63 DD 8F 7A 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000017A8FDD60C0, 16 bytes long.
 Data: <Xc&#221; z           > 58 63 DD 8F 7A 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000017A8FDD5440, 16 bytes long.
 Data: <0c&#221; z           > 30 63 DD 8F 7A 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000017A8FDD5D00, 16 bytes long.
 Data: < c&#221; z           > 08 63 DD 8F 7A 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000017A8FDD5670, 16 bytes long.
 Data: <&#224;b&#221; z           > E0 62 DD 8F 7A 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000017A8FDD5A80, 16 bytes long.
 Data: <  &#221; z           > 80 00 DD 8F 7A 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000017A8FDD0080, 40 bytes long.
 Data: < Z&#221; z    &#162;&#165;&#145;z   > 80 5A DD 8F 7A 01 00 00 10 A2 A5 91 7A 01 00 00 
{272} normal block at 0x0000017A8FDD5B20, 16 bytes long.
 Data: <&#192;b&#221; z           > C0 62 DD 8F 7A 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000017A8FDD5990, 16 bytes long.
 Data: < b&#221; z           > 98 62 DD 8F 7A 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000017A8FDCD2C0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{269} normal block at 0x0000017A8FDD5300, 16 bytes long.
 Data: <pb&#221; z           > 70 62 DD 8F 7A 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000017A8FDD6270, 992 bytes long.
 Data: < S&#221; z   &#192;&#210;&#220; z   > 00 53 DD 8F 7A 01 00 00 C0 D2 DC 8F 7A 01 00 00 
{104} normal block at 0x0000017A8FDCDFE0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{103} normal block at 0x0000017A8FDCF710, 16 bytes long.
 Data: <@ &#221; z           > 40 02 DD 8F 7A 01 00 00 00 00 00 00 00 00 00 00 
{102} normal block at 0x0000017A8FDD0240, 40 bytes long.
 Data: < &#247;&#220; z   &#224;&#223;&#220; z   > 10 F7 DC 8F 7A 01 00 00 E0 DF DC 8F 7A 01 00 00 
{81} normal block at 0x0000017A8FDCF580, 16 bytes long.
 Data: < &#234;  &#247;           > 80 EA 0C 16 F7 7F 00 00 00 00 00 00 00 00 00 00 
{80} normal block at 0x0000017A8FDCF620, 16 bytes long.
 Data: <@&#233;  &#247;           > 40 E9 0C 16 F7 7F 00 00 00 00 00 00 00 00 00 00 
{79} normal block at 0x0000017A8FDCEEA0, 16 bytes long.
 Data: <&#248;W	 &#247;           > F8 57 09 16 F7 7F 00 00 00 00 00 00 00 00 00 00 
{78} normal block at 0x0000017A8FDCF8A0, 16 bytes long.
 Data: <&#216;W	 &#247;           > D8 57 09 16 F7 7F 00 00 00 00 00 00 00 00 00 00 
{77} normal block at 0x0000017A8FDCECC0, 16 bytes long.
 Data: <P 	 &#247;           > 50 04 09 16 F7 7F 00 00 00 00 00 00 00 00 00 00 
{76} normal block at 0x0000017A8FDCF6C0, 16 bytes long.
 Data: <0 	 &#247;           > 30 04 09 16 F7 7F 00 00 00 00 00 00 00 00 00 00 
{75} normal block at 0x0000017A8FDCEB80, 16 bytes long.
 Data: <&#224; 	 &#247;           > E0 02 09 16 F7 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x0000017A8FDCF3F0, 16 bytes long.
 Data: <  	 &#247;           > 10 04 09 16 F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x0000017A8FDCF080, 16 bytes long.
 Data: <p 	 &#247;           > 70 04 09 16 F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x0000017A8FDCF8F0, 16 bytes long.
 Data: < &#192;  &#247;           > 18 C0 07 16 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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