Task 38688965

Name test_439-GPUGRID_TEST_ATM_1000_20261023-0-1-RND4900_1
Workunit 31591276
Created 28 Oct 2026, 17:16:04 UTC
Sent 28 Oct 2026, 17:16:10 UTC
Report deadline 2 Nov 2026, 17:16:10 UTC
Received 28 Oct 2026, 18:01:54 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 506550
Run time 24 min 24 sec
CPU time 17 min 13 sec
Validate state Valid
Credit 1,000.00
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 745.42 MB
Peak swap size 13.15 GB
Peak disk usage 2.97 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
10:36:30 (24696): wrapper (7.9.26016): starting
10:36:30 (24696): 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
10:36:33 (24696): Library/usr/bin/tar.exe exited; CPU time 0.000000
10:36:33 (24696): 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\18\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\18\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
11:01:14 (24696): C:/Windows/system32/cmd.exe exited; CPU time 1033.937500
11:01:14 (24696): called boinc_finish(0)
0 bytes in 0 Free Blocks.
566 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: 20834407 bytes.
Dumping objects ->
{3835240} normal block at 0x0000022DF6C84C20, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835229} normal block at 0x0000022DF6C85010, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835218} normal block at 0x0000022DF6C84D70, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835207} normal block at 0x0000022DF6C84D00, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835196} normal block at 0x0000022DF6C84B40, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835165} normal block at 0x0000022DF89E6EA0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835154} normal block at 0x0000022DF8A45E60, 155 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) : {3835151} normal block at 0x0000022DF6C7F170, 8 bytes long.
 Data: <  &#193;&#246;-   > 00 00 C1 F6 2D 02 00 00 
{3834548} normal block at 0x0000022DF8A45A00, 155 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833957} normal block at 0x0000022DF6C7F350, 8 bytes long.
 Data: <&#176;&#227; &#248;-   > B0 E3 88 F8 2D 02 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x0000022DF6C80A60, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000022DF6C76B50, 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 0x0000022DF6C86350, 16 bytes long.
 Data: <xh&#200;&#246;-           > 78 68 C8 F6 2D 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000022DF6C85630, 16 bytes long.
 Data: <Ph&#200;&#246;-           > 50 68 C8 F6 2D 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000022DF6C803B0, 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 0x0000022DF6C85E50, 16 bytes long.
 Data: <(h&#200;&#246;-           > 28 68 C8 F6 2D 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000022DF6C85860, 16 bytes long.
 Data: < h&#200;&#246;-           > 00 68 C8 F6 2D 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000022DF6C85D10, 16 bytes long.
 Data: <&#216;g&#200;&#246;-           > D8 67 C8 F6 2D 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000022DF6C864E0, 16 bytes long.
 Data: <&#176;g&#200;&#246;-           > B0 67 C8 F6 2D 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000022DF6C849F0, 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 0x0000022DF6C861C0, 16 bytes long.
 Data: <H&#239;&#198;&#246;-           > 48 EF C6 F6 2D 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000022DF6C80470, 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 0x0000022DF6C863F0, 16 bytes long.
 Data: < &#239;&#198;&#246;-           > 20 EF C6 F6 2D 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000022DF6C86170, 16 bytes long.
 Data: <&#248;&#238;&#198;&#246;-           > F8 EE C6 F6 2D 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000022DF6C85CC0, 16 bytes long.
 Data: <&#208;&#238;&#198;&#246;-           > D0 EE C6 F6 2D 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000022DF6C85B80, 16 bytes long.
 Data: <&#168;&#238;&#198;&#246;-           > A8 EE C6 F6 2D 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000022DF6C859F0, 16 bytes long.
 Data: < &#238;&#198;&#246;-           > 80 EE C6 F6 2D 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000022DF6C85810, 16 bytes long.
 Data: <X&#238;&#198;&#246;-           > 58 EE C6 F6 2D 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000022DF6C80710, 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 0x0000022DF6C86080, 16 bytes long.
 Data: <0&#238;&#198;&#246;-           > 30 EE C6 F6 2D 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000022DF6C6EE30, 320 bytes long.
 Data: < `&#200;&#246;-     &#200;&#246;-   > 80 60 C8 F6 2D 02 00 00 10 07 C8 F6 2D 02 00 00 
{274} normal block at 0x0000022DF6C85950, 16 bytes long.
 Data: < g&#200;&#246;-           > 90 67 C8 F6 2D 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000022DF6C85A90, 16 bytes long.
 Data: <hg&#200;&#246;-           > 68 67 C8 F6 2D 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000022DF6C806B0, 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 0x0000022DF6C86300, 16 bytes long.
 Data: <@g&#200;&#246;-           > 40 67 C8 F6 2D 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000022DF6C80650, 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 0x0000022DF6C85C70, 16 bytes long.
 Data: < f&#200;&#246;-           > 88 66 C8 F6 2D 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000022DF6C857C0, 16 bytes long.
 Data: <`f&#200;&#246;-           > 60 66 C8 F6 2D 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000022DF6C855E0, 16 bytes long.
 Data: <8f&#200;&#246;-           > 38 66 C8 F6 2D 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000022DF6C85770, 16 bytes long.
 Data: < f&#200;&#246;-           > 10 66 C8 F6 2D 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000022DF6C86440, 16 bytes long.
 Data: <&#232;e&#200;&#246;-           > E8 65 C8 F6 2D 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000022DF6C85B30, 16 bytes long.
 Data: <&#192;e&#200;&#246;-           > C0 65 C8 F6 2D 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000022DF6C85720, 16 bytes long.
 Data: < P&#200;&#246;-           > 80 50 C8 F6 2D 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000022DF6C85080, 40 bytes long.
 Data: < W&#200;&#246;-   &#160;n&#158;&#248;-   > 20 57 C8 F6 2D 02 00 00 A0 6E 9E F8 2D 02 00 00 
{260} normal block at 0x0000022DF6C85BD0, 16 bytes long.
 Data: <&#160;e&#200;&#246;-           > A0 65 C8 F6 2D 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000022DF6C856D0, 16 bytes long.
 Data: <xe&#200;&#246;-           > 78 65 C8 F6 2D 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000022DF6C7FE10, 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 0x0000022DF6C85680, 16 bytes long.
 Data: <Pe&#200;&#246;-           > 50 65 C8 F6 2D 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000022DF6C86550, 992 bytes long.
 Data: < V&#200;&#246;-    &#254;&#199;&#246;-   > 80 56 C8 F6 2D 02 00 00 10 FE C7 F6 2D 02 00 00 
{92} normal block at 0x0000022DF6C7FF90, 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 0x0000022DF6C7F8A0, 16 bytes long.
 Data: <&#224;&#229;&#198;&#246;-           > E0 E5 C6 F6 2D 02 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x0000022DF6C6E5E0, 40 bytes long.
 Data: <&#160;&#248;&#199;&#246;-    &#255;&#199;&#246;-   > A0 F8 C7 F6 2D 02 00 00 90 FF C7 F6 2D 02 00 00 
{69} normal block at 0x0000022DF6C7F030, 16 bytes long.
 Data: < &#234;}{&#246;           > 80 EA 7D 7B F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000022DF6C7EEA0, 16 bytes long.
 Data: <@&#233;}{&#246;           > 40 E9 7D 7B F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000022DF6C7F8F0, 16 bytes long.
 Data: <&#248;Wz{&#246;           > F8 57 7A 7B F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000022DF6C7F120, 16 bytes long.
 Data: <&#216;Wz{&#246;           > D8 57 7A 7B F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000022DF6C7EA90, 16 bytes long.
 Data: <P z{&#246;           > 50 04 7A 7B F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000022DF6C7F670, 16 bytes long.
 Data: <0 z{&#246;           > 30 04 7A 7B F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000022DF6C7F530, 16 bytes long.
 Data: <&#224; z{&#246;           > E0 02 7A 7B F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000022DF6C7EDB0, 16 bytes long.
 Data: <  z{&#246;           > 10 04 7A 7B F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000022DF6C7F0D0, 16 bytes long.
 Data: <p z{&#246;           > 70 04 7A 7B F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000022DF6C7F620, 16 bytes long.
 Data: < &#192;x{&#246;           > 18 C0 78 7B F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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