Task 38654938

Name test_59-GPUGRID_TEST_ATM_40STEP_20261023-4-40-RND8584_0
Workunit 31598727
Created 24 Oct 2026, 8:09:07 UTC
Sent 24 Oct 2026, 8:09:18 UTC
Report deadline 29 Oct 2026, 8:09:18 UTC
Received 24 Oct 2026, 9:55:48 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 604846
Run time 44 min 35 sec
CPU time 42 min 15 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 5,156.89 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 718.11 MB
Peak swap size 9.74 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
03:32:21 (11248): wrapper (7.9.26016): starting
03:32:21 (11248): 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
03:32:22 (11248): Library/usr/bin/tar.exe exited; CPU time 0.000000
03:32:22 (11248): 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\13\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\13\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
04:15:14 (11248): C:/Windows/system32/cmd.exe exited; CPU time 2535.578125
04:15:14 (11248): 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: 47298581 bytes.
Dumping objects ->
{3835194} normal block at 0x000002181D8E6E40, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835183} normal block at 0x000002181D8E74D0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835172} normal block at 0x000002181D8E73F0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835161} normal block at 0x000002181D8E7380, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835150} normal block at 0x000002181D8E7070, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835119} normal block at 0x000002181F6603A0, 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) : {3835106} normal block at 0x000002181D8E0AF0, 8 bytes long.
 Data: <  &#216;     > 00 00 D8 1D 18 02 00 00 
{3833957} normal block at 0x000002181D8E0960, 8 bytes long.
 Data: <&#192;&#229;&#155;     > C0 E5 9B 1D 18 02 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x000002181D8D6680, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002181D8D73B0, 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 0x000002181D8E8130, 16 bytes long.
 Data: <&#232;z&#142;             > E8 7A 8E 1D 18 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002181D8E82C0, 16 bytes long.
 Data: <&#192;z&#142;             > C0 7A 8E 1D 18 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002181D8DE770, 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 0x000002181D8E80E0, 16 bytes long.
 Data: < z&#142;             > 98 7A 8E 1D 18 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002181D8E8B30, 16 bytes long.
 Data: <pz&#142;             > 70 7A 8E 1D 18 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002181D8E8450, 16 bytes long.
 Data: <Hz&#142;             > 48 7A 8E 1D 18 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002181D8E8AE0, 16 bytes long.
 Data: < z&#142;             > 20 7A 8E 1D 18 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002181D8E6EB0, 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 0x000002181D8E7D20, 16 bytes long.
 Data: <H&#208;&#140;             > 48 D0 8C 1D 18 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002181D8DF0D0, 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 0x000002181D8E8180, 16 bytes long.
 Data: < &#208;&#140;             > 20 D0 8C 1D 18 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002181D8E8270, 16 bytes long.
 Data: <&#248;&#207;&#140;             > F8 CF 8C 1D 18 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002181D8E7FF0, 16 bytes long.
 Data: <&#208;&#207;&#140;             > D0 CF 8C 1D 18 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002181D8E88B0, 16 bytes long.
 Data: <&#168;&#207;&#140;             > A8 CF 8C 1D 18 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002181D8E84F0, 16 bytes long.
 Data: < &#207;&#140;             > 80 CF 8C 1D 18 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002181D8E8B80, 16 bytes long.
 Data: <X&#207;&#140;             > 58 CF 8C 1D 18 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002181D8DEDD0, 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 0x000002181D8E7C30, 16 bytes long.
 Data: <0&#207;&#140;             > 30 CF 8C 1D 18 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002181D8CCF30, 320 bytes long.
 Data: <0|&#142;     &#208;&#237;      > 30 7C 8E 1D 18 02 00 00 D0 ED 8D 1D 18 02 00 00 
{274} normal block at 0x000002181D8E8400, 16 bytes long.
 Data: < z&#142;             > 00 7A 8E 1D 18 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002181D8E8090, 16 bytes long.
 Data: <&#216;y&#142;             > D8 79 8E 1D 18 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002181D8DE470, 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 0x000002181D8E7E10, 16 bytes long.
 Data: <&#176;y&#142;             > B0 79 8E 1D 18 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002181D8DE410, 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 0x000002181D8E8040, 16 bytes long.
 Data: <&#248;x&#142;             > F8 78 8E 1D 18 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002181D8E7FA0, 16 bytes long.
 Data: <&#208;x&#142;             > D0 78 8E 1D 18 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002181D8E8630, 16 bytes long.
 Data: <&#168;x&#142;             > A8 78 8E 1D 18 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002181D8E83B0, 16 bytes long.
 Data: < x&#142;             > 80 78 8E 1D 18 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002181D8E87C0, 16 bytes long.
 Data: <Xx&#142;             > 58 78 8E 1D 18 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002181D8E0E60, 16 bytes long.
 Data: <0x&#142;             > 30 78 8E 1D 18 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002181D8E0E10, 16 bytes long.
 Data: <Pq&#142;             > 50 71 8E 1D 18 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002181D8E7150, 40 bytes long.
 Data: <  &#142;     &#160; f     > 10 0E 8E 1D 18 02 00 00 A0 03 66 1F 18 02 00 00 
{260} normal block at 0x000002181D8E1180, 16 bytes long.
 Data: < x&#142;             > 10 78 8E 1D 18 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000002181D8E0F50, 16 bytes long.
 Data: <&#232;w&#142;             > E8 77 8E 1D 18 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000002181D8DE9B0, 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 0x000002181D8E09B0, 16 bytes long.
 Data: <&#192;w&#142;             > C0 77 8E 1D 18 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000002181D8E77C0, 992 bytes long.
 Data: <&#176;	&#142;     &#176;&#233;      > B0 09 8E 1D 18 02 00 00 B0 E9 8D 1D 18 02 00 00 
{92} normal block at 0x000002181D8DEB90, 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 0x000002181D8E0AA0, 16 bytes long.
 Data: <`&#209;&#140;             > 60 D1 8C 1D 18 02 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x000002181D8CD160, 40 bytes long.
 Data: <&#160; &#142;      &#235;      > A0 0A 8E 1D 18 02 00 00 90 EB 8D 1D 18 02 00 00 
{69} normal block at 0x000002181D8E1590, 16 bytes long.
 Data: < &#234;^&#184;&#247;           > 80 EA 5E B8 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002181D8E17C0, 16 bytes long.
 Data: <@&#233;^&#184;&#247;           > 40 E9 5E B8 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002181D8E0FA0, 16 bytes long.
 Data: <&#248;W[&#184;&#247;           > F8 57 5B B8 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002181D8E0BE0, 16 bytes long.
 Data: <&#216;W[&#184;&#247;           > D8 57 5B B8 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002181D8E1360, 16 bytes long.
 Data: <P [&#184;&#247;           > 50 04 5B B8 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002181D8E14F0, 16 bytes long.
 Data: <0 [&#184;&#247;           > 30 04 5B B8 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002181D8E0A50, 16 bytes long.
 Data: <&#224; [&#184;&#247;           > E0 02 5B B8 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002181D8E1450, 16 bytes long.
 Data: <  [&#184;&#247;           > 10 04 5B B8 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002181D8E0910, 16 bytes long.
 Data: <p [&#184;&#247;           > 70 04 5B B8 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000002181D8E0F00, 16 bytes long.
 Data: < &#192;Y&#184;&#247;           > 18 C0 59 B8 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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