Task 38687306

Name test_516-GPUGRID_TEST_ATM_40STEP_20261023-16-40-RND4426_0
Workunit 31628699
Created 28 Oct 2026, 7:03:03 UTC
Sent 28 Oct 2026, 7:03:15 UTC
Report deadline 2 Nov 2026, 7:03:15 UTC
Received 28 Oct 2026, 8:13:43 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 648578
Run time 23 min 51 sec
CPU time 23 min 7 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 20,163.62 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 733.42 MB
Peak swap size 6.89 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
08:49:21 (9564): wrapper (7.9.26016): starting
08:49:21 (9564): 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
08:49:22 (9564): Library/usr/bin/tar.exe exited; CPU time 0.000000
08:49:22 (9564): 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\1\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\1\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
09:12:35 (9564): C:/Windows/system32/cmd.exe exited; CPU time 1387.140625
09:12:35 (9564): called boinc_finish(0)
0 bytes in 0 Free Blocks.
422 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: 19483316 bytes.
Dumping objects ->
{3835554} normal block at 0x000001AA85227D60, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835543} normal block at 0x000001AA83524D40, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835532} normal block at 0x000001AA83524C60, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835521} normal block at 0x000001AA83524BF0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835510} normal block at 0x000001AA83524B80, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835479} normal block at 0x000001AA8523AF20, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835468} normal block at 0x000001AA83515E10, 83 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) : {3835465} normal block at 0x000001AA8351F530, 8 bytes long.
 Data: <  &#171; &#170;   > 00 00 AB 83 AA 01 00 00 
{3834684} normal block at 0x000001AA83516A70, 83 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 0x000001AA8351F080, 8 bytes long.
 Data: <`X,&#133;&#170;   > 60 58 2C 85 AA 01 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x000001AA83520E20, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001AA835163B0, 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 0x000001AA83525CE0, 16 bytes long.
 Data: < fR &#170;           > 18 66 52 83 AA 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001AA835260A0, 16 bytes long.
 Data: <&#240;eR &#170;           > F0 65 52 83 AA 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001AA8351FFB0, 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 0x000001AA83525AB0, 16 bytes long.
 Data: <&#200;eR &#170;           > C8 65 52 83 AA 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001AA83525C90, 16 bytes long.
 Data: <&#160;eR &#170;           > A0 65 52 83 AA 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001AA83526230, 16 bytes long.
 Data: <xeR &#170;           > 78 65 52 83 AA 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001AA83525BA0, 16 bytes long.
 Data: <PeR &#170;           > 50 65 52 83 AA 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001AA83524800, 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 0x000001AA83525830, 16 bytes long.
 Data: <&#200;&#233;P &#170;           > C8 E9 50 83 AA 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001AA8351F950, 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 0x000001AA83526190, 16 bytes long.
 Data: <&#160;&#233;P &#170;           > A0 E9 50 83 AA 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001AA835256F0, 16 bytes long.
 Data: <x&#233;P &#170;           > 78 E9 50 83 AA 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001AA835257E0, 16 bytes long.
 Data: <P&#233;P &#170;           > 50 E9 50 83 AA 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001AA83526050, 16 bytes long.
 Data: <(&#233;P &#170;           > 28 E9 50 83 AA 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001AA83525790, 16 bytes long.
 Data: < &#233;P &#170;           > 00 E9 50 83 AA 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001AA835259C0, 16 bytes long.
 Data: <&#216;&#232;P &#170;           > D8 E8 50 83 AA 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001AA8351FBF0, 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 0x000001AA835256A0, 16 bytes long.
 Data: <&#176;&#232;P &#170;           > B0 E8 50 83 AA 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001AA8350E8B0, 320 bytes long.
 Data: <&#160;VR &#170;   &#240;&#251;Q &#170;   > A0 56 52 83 AA 01 00 00 F0 FB 51 83 AA 01 00 00 
{274} normal block at 0x000001AA835261E0, 16 bytes long.
 Data: <0eR &#170;           > 30 65 52 83 AA 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001AA83525A60, 16 bytes long.
 Data: < eR &#170;           > 08 65 52 83 AA 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001AA8351FA10, 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 0x000001AA83525EC0, 16 bytes long.
 Data: <&#224;dR &#170;           > E0 64 52 83 AA 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001AA835201F0, 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 0x000001AA83525650, 16 bytes long.
 Data: <(dR &#170;           > 28 64 52 83 AA 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001AA83525E20, 16 bytes long.
 Data: < dR &#170;           > 00 64 52 83 AA 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001AA83525420, 16 bytes long.
 Data: <&#216;cR &#170;           > D8 63 52 83 AA 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001AA83525DD0, 16 bytes long.
 Data: <&#176;cR &#170;           > B0 63 52 83 AA 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001AA83525F10, 16 bytes long.
 Data: < cR &#170;           > 88 63 52 83 AA 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001AA835255B0, 16 bytes long.
 Data: <`cR &#170;           > 60 63 52 83 AA 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001AA835258D0, 16 bytes long.
 Data: <PIR &#170;           > 50 49 52 83 AA 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001AA83524950, 40 bytes long.
 Data: <&#208;XR &#170;    &#175;#&#133;&#170;   > D0 58 52 83 AA 01 00 00 20 AF 23 85 AA 01 00 00 
{260} normal block at 0x000001AA835254C0, 16 bytes long.
 Data: <@cR &#170;           > 40 63 52 83 AA 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001AA83525E70, 16 bytes long.
 Data: < cR &#170;           > 18 63 52 83 AA 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001AA8351FB30, 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 0x000001AA83525C40, 16 bytes long.
 Data: <&#240;bR &#170;           > F0 62 52 83 AA 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001AA835262F0, 992 bytes long.
 Data: <@\R &#170;   0&#251;Q &#170;   > 40 5C 52 83 AA 01 00 00 30 FB 51 83 AA 01 00 00 
{92} normal block at 0x000001AA835206D0, 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 0x000001AA8351F1C0, 16 bytes long.
 Data: <p&#243;P &#170;           > 70 F3 50 83 AA 01 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x000001AA8350F370, 40 bytes long.
 Data: <&#192;&#241;Q &#170;   &#208; R &#170;   > C0 F1 51 83 AA 01 00 00 D0 06 52 83 AA 01 00 00 
{69} normal block at 0x000001AA8351F120, 16 bytes long.
 Data: < &#234;&#130;&#134;&#247;           > 80 EA 82 86 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001AA8351F0D0, 16 bytes long.
 Data: <@&#233;&#130;&#134;&#247;           > 40 E9 82 86 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001AA8351E8B0, 16 bytes long.
 Data: <&#248;W &#134;&#247;           > F8 57 7F 86 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001AA8351F030, 16 bytes long.
 Data: <&#216;W &#134;&#247;           > D8 57 7F 86 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001AA8351E810, 16 bytes long.
 Data: <P  &#134;&#247;           > 50 04 7F 86 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001AA8351EFE0, 16 bytes long.
 Data: <0  &#134;&#247;           > 30 04 7F 86 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001AA8351F5D0, 16 bytes long.
 Data: <&#224;  &#134;&#247;           > E0 02 7F 86 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001AA8351E7C0, 16 bytes long.
 Data: <   &#134;&#247;           > 10 04 7F 86 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001AA8351F710, 16 bytes long.
 Data: <p  &#134;&#247;           > 70 04 7F 86 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001AA8351F4E0, 16 bytes long.
 Data: < &#192;}&#134;&#247;           > 18 C0 7D 86 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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