Task 38672983

Name test_34-GPUGRID_TEST_ATM_40STEP_20261023-16-40-RND9539_0
Workunit 31615090
Created 26 Oct 2026, 1:07:42 UTC
Sent 26 Oct 2026, 1:07:48 UTC
Report deadline 31 Oct 2026, 1:07:48 UTC
Received 27 Oct 2026, 6:00:07 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 627510
Run time 1 hours 0 min 10 sec
CPU time 56 min 20 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 8,090.66 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 654.18 MB
Peak swap size 6.84 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.15</core_client_version>
<![CDATA[
<stderr_txt>
06:01:07 (17784): wrapper (7.9.26016): starting
06:01:07 (17784): 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
06:01:08 (17784): Library/usr/bin/tar.exe exited; CPU time 0.000000
06:01:08 (17784): 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\11\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\11\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
06:59:48 (17784): C:/Windows/system32/cmd.exe exited; CPU time 3380.187500
06:59:48 (17784): called boinc_finish(0)
0 bytes in 0 Free Blocks.
544 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: 59303855 bytes.
Dumping objects ->
{3835239} normal block at 0x0000015C94224280, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835228} normal block at 0x0000015C94224210, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835217} normal block at 0x0000015C94224050, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835206} normal block at 0x0000015C94223FE0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835195} normal block at 0x0000015C942242F0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835164} normal block at 0x0000015C95EA9FC0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835153} normal block at 0x0000015C9427DF00, 144 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) : {3835150} normal block at 0x0000015C9421DFE0, 8 bytes long.
 Data: <  g&#148;\   > 00 00 67 94 5C 01 00 00 
{3834550} normal block at 0x0000015C9427CB80, 144 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833955} normal block at 0x0000015C9421E7B0, 8 bytes long.
 Data: <`&#151;$&#148;\   > 60 97 24 94 5C 01 00 00 
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x0000015C942203C0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000015C94215730, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{293} normal block at 0x0000015C94224DB0, 16 bytes long.
 Data: < \"&#148;\           > 88 5C 22 94 5C 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000015C94224B80, 16 bytes long.
 Data: <`\"&#148;\           > 60 5C 22 94 5C 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000015C9421F3B0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{290} normal block at 0x0000015C94224B30, 16 bytes long.
 Data: <8\"&#148;\           > 38 5C 22 94 5C 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000015C942249F0, 16 bytes long.
 Data: < \"&#148;\           > 10 5C 22 94 5C 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000015C94225350, 16 bytes long.
 Data: <&#232;["&#148;\           > E8 5B 22 94 5C 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000015C942257B0, 16 bytes long.
 Data: <&#192;["&#148;\           > C0 5B 22 94 5C 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000015C942240C0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{285} normal block at 0x0000015C942255D0, 16 bytes long.
 Data: <x&#134;!&#148;\           > 78 86 21 94 5C 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000015C9421F2F0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{283} normal block at 0x0000015C94224D60, 16 bytes long.
 Data: <P&#134;!&#148;\           > 50 86 21 94 5C 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000015C942258F0, 16 bytes long.
 Data: <(&#134;!&#148;\           > 28 86 21 94 5C 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000015C942254E0, 16 bytes long.
 Data: < &#134;!&#148;\           > 00 86 21 94 5C 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000015C942258A0, 16 bytes long.
 Data: <&#216;&#133;!&#148;\           > D8 85 21 94 5C 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000015C94225440, 16 bytes long.
 Data: <&#176;&#133;!&#148;\           > B0 85 21 94 5C 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000015C94225030, 16 bytes long.
 Data: < &#133;!&#148;\           > 88 85 21 94 5C 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000015C9421F290, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{275} normal block at 0x0000015C94224D10, 16 bytes long.
 Data: <`&#133;!&#148;\           > 60 85 21 94 5C 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000015C94218560, 320 bytes long.
 Data: < M"&#148;\    &#242;!&#148;\   > 10 4D 22 94 5C 01 00 00 90 F2 21 94 5C 01 00 00 
{273} normal block at 0x0000015C94224AE0, 16 bytes long.
 Data: <&#160;["&#148;\           > A0 5B 22 94 5C 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000015C94224C70, 16 bytes long.
 Data: <x["&#148;\           > 78 5B 22 94 5C 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000015C9421EF90, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{270} normal block at 0x0000015C942256C0, 16 bytes long.
 Data: <P["&#148;\           > 50 5B 22 94 5C 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000015C9421EED0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{268} normal block at 0x0000015C94225300, 16 bytes long.
 Data: < Z"&#148;\           > 98 5A 22 94 5C 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000015C94225760, 16 bytes long.
 Data: <pZ"&#148;\           > 70 5A 22 94 5C 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000015C94224CC0, 16 bytes long.
 Data: <HZ"&#148;\           > 48 5A 22 94 5C 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000015C942252B0, 16 bytes long.
 Data: < Z"&#148;\           > 20 5A 22 94 5C 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000015C942249A0, 16 bytes long.
 Data: <&#248;Y"&#148;\           > F8 59 22 94 5C 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000015C94224E00, 16 bytes long.
 Data: <&#208;Y"&#148;\           > D0 59 22 94 5C 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000015C94225260, 16 bytes long.
 Data: <&#176;D"&#148;\           > B0 44 22 94 5C 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000015C942244B0, 40 bytes long.
 Data: <`R"&#148;\   &#192;&#159;&#234;&#149;\   > 60 52 22 94 5C 01 00 00 C0 9F EA 95 5C 01 00 00 
{259} normal block at 0x0000015C94224C20, 16 bytes long.
 Data: <&#176;Y"&#148;\           > B0 59 22 94 5C 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000015C94225210, 16 bytes long.
 Data: < Y"&#148;\           > 88 59 22 94 5C 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000015C9421F650, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{256} normal block at 0x0000015C94224A90, 16 bytes long.
 Data: <`Y"&#148;\           > 60 59 22 94 5C 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000015C94225960, 992 bytes long.
 Data: < J"&#148;\   P&#246;!&#148;\   > 90 4A 22 94 5C 01 00 00 50 F6 21 94 5C 01 00 00 
{91} normal block at 0x0000015C9421EF30, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{90} normal block at 0x0000015C9421EB20, 16 bytes long.
 Data: <&#240;&#237; &#148;\           > F0 ED 20 94 5C 01 00 00 00 00 00 00 00 00 00 00 
{89} normal block at 0x0000015C9420EDF0, 40 bytes long.
 Data: < &#235;!&#148;\   0&#239;!&#148;\   > 20 EB 21 94 5C 01 00 00 30 EF 21 94 5C 01 00 00 
{68} normal block at 0x0000015C9421E030, 16 bytes long.
 Data: < &#234;o7&#246;           > 80 EA 6F 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000015C9421EAD0, 16 bytes long.
 Data: <@&#233;o7&#246;           > 40 E9 6F 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000015C9421E760, 16 bytes long.
 Data: <&#248;Wl7&#246;           > F8 57 6C 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000015C9421E990, 16 bytes long.
 Data: <&#216;Wl7&#246;           > D8 57 6C 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000015C9421EA80, 16 bytes long.
 Data: <P l7&#246;           > 50 04 6C 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000015C9421E9E0, 16 bytes long.
 Data: <0 l7&#246;           > 30 04 6C 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000015C9421EB70, 16 bytes long.
 Data: <&#224; l7&#246;           > E0 02 6C 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000015C9421E620, 16 bytes long.
 Data: <  l7&#246;           > 10 04 6C 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000015C9421DEF0, 16 bytes long.
 Data: <p l7&#246;           > 70 04 6C 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000015C9421EA30, 16 bytes long.
 Data: < &#192;j7&#246;           > 18 C0 6A 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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