Task 38677632

Name test_493-GPUGRID_TEST_ATM_40STEP_20261023-20-40-RND9048_0
Workunit 31619496
Created 26 Oct 2026, 14:56:16 UTC
Sent 26 Oct 2026, 14:56:23 UTC
Report deadline 31 Oct 2026, 14:56:23 UTC
Received 26 Oct 2026, 15:39:48 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 645746
Run time 42 min 33 sec
CPU time 36 min 58 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 12,741.16 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 698.60 MB
Peak swap size 8.36 GB
Peak disk usage 3.64 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
10:57:51 (19708): wrapper (7.9.26016): starting
10:57:51 (19708): 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
10:57:52 (19708): Library/usr/bin/tar.exe exited; CPU time 0.000000
10:57:52 (19708): 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
11:39:09 (19708): C:/Windows/system32/cmd.exe exited; CPU time 2218.718750
11:39:09 (19708): 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: 41524143 bytes.
Dumping objects ->
{3835188} normal block at 0x0000000000506FF0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835177} normal block at 0x00000000005069D0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835166} normal block at 0x0000000000506F10, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835155} normal block at 0x0000000000506EA0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835144} normal block at 0x0000000000506DC0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835113} normal block at 0x00000000025F7210, 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) : {3835100} normal block at 0x0000000000500120, 8 bytes long.
 Data: <  J     > 00 00 4A 00 00 00 00 00 
{3833951} normal block at 0x00000000004FFA40, 8 bytes long.
 Data: <&#224;&#181;R     > E0 B5 52 00 00 00 00 00 
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x0000000000500730, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000000004F5FD0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{291} normal block at 0x0000000000507C00, 16 bytes long.
 Data: <&#216;sP             > D8 73 50 00 00 00 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000000000508470, 16 bytes long.
 Data: <&#176;sP             > B0 73 50 00 00 00 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000000004FF1F0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{288} normal block at 0x0000000000507F20, 16 bytes long.
 Data: < sP             > 88 73 50 00 00 00 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000000000507FC0, 16 bytes long.
 Data: <`sP             > 60 73 50 00 00 00 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000000000507DE0, 16 bytes long.
 Data: <8sP             > 38 73 50 00 00 00 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000000000508100, 16 bytes long.
 Data: < sP             > 10 73 50 00 00 00 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000000000506CE0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{283} normal block at 0x0000000000507E80, 16 bytes long.
 Data: <H&#243;N             > 48 F3 4E 00 00 00 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000000004FF2B0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{281} normal block at 0x0000000000507890, 16 bytes long.
 Data: < &#243;N             > 20 F3 4E 00 00 00 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000000000507D40, 16 bytes long.
 Data: <&#248;&#242;N             > F8 F2 4E 00 00 00 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000000005075C0, 16 bytes long.
 Data: <&#208;&#242;N             > D0 F2 4E 00 00 00 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000000000508380, 16 bytes long.
 Data: <&#168;&#242;N             > A8 F2 4E 00 00 00 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000000000507570, 16 bytes long.
 Data: < &#242;N             > 80 F2 4E 00 00 00 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000000000507CF0, 16 bytes long.
 Data: <X&#242;N             > 58 F2 4E 00 00 00 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000000004FEF50, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{273} normal block at 0x00000000005076B0, 16 bytes long.
 Data: <0&#242;N             > 30 F2 4E 00 00 00 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000000004EF230, 320 bytes long.
 Data: <&#176;vP     P&#239;O     > B0 76 50 00 00 00 00 00 50 EF 4F 00 00 00 00 00 
{271} normal block at 0x0000000000507610, 16 bytes long.
 Data: <&#240;rP             > F0 72 50 00 00 00 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000000000507ED0, 16 bytes long.
 Data: <&#200;rP             > C8 72 50 00 00 00 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000000004FECB0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{268} normal block at 0x00000000005081A0, 16 bytes long.
 Data: <&#160;rP             > A0 72 50 00 00 00 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000000004FEB30, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{266} normal block at 0x00000000005077A0, 16 bytes long.
 Data: <&#232;qP             > E8 71 50 00 00 00 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000000000507D90, 16 bytes long.
 Data: <&#192;qP             > C0 71 50 00 00 00 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000000000507E30, 16 bytes long.
 Data: < qP             > 98 71 50 00 00 00 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000000000507A20, 16 bytes long.
 Data: <pqP             > 70 71 50 00 00 00 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000000004FFEA0, 16 bytes long.
 Data: <HqP             > 48 71 50 00 00 00 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000000004FFE50, 16 bytes long.
 Data: < qP             > 20 71 50 00 00 00 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000000004FFC70, 16 bytes long.
 Data: <@jP             > 40 6A 50 00 00 00 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000000000506A40, 40 bytes long.
 Data: <p&#252;O      r_     > 70 FC 4F 00 00 00 00 00 10 72 5F 02 00 00 00 00 
{257} normal block at 0x00000000004FF950, 16 bytes long.
 Data: < qP             > 00 71 50 00 00 00 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x00000000004FF900, 16 bytes long.
 Data: <&#216;pP             > D8 70 50 00 00 00 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x00000000004FF010, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{254} normal block at 0x00000000004FFE00, 16 bytes long.
 Data: <&#176;pP             > B0 70 50 00 00 00 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x00000000005070B0, 992 bytes long.
 Data: < &#254;O      &#240;O     > 00 FE 4F 00 00 00 00 00 10 F0 4F 00 00 00 00 00 
{89} normal block at 0x00000000004FF130, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{88} normal block at 0x00000000004FFDB0, 16 bytes long.
 Data: < &#199;N             > 80 C7 4E 00 00 00 00 00 00 00 00 00 00 00 00 00 
{87} normal block at 0x00000000004EC780, 40 bytes long.
 Data: <&#176;&#253;O     0&#241;O     > B0 FD 4F 00 00 00 00 00 30 F1 4F 00 00 00 00 00 
{66} normal block at 0x00000000004FFBD0, 16 bytes long.
 Data: < &#234;Wf&#247;           > 80 EA 57 66 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000000004FF9A0, 16 bytes long.
 Data: <@&#233;Wf&#247;           > 40 E9 57 66 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000000004FFB30, 16 bytes long.
 Data: <&#248;WTf&#247;           > F8 57 54 66 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000000004FFD60, 16 bytes long.
 Data: <&#216;WTf&#247;           > D8 57 54 66 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000000005004E0, 16 bytes long.
 Data: <P Tf&#247;           > 50 04 54 66 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000000004FFFE0, 16 bytes long.
 Data: <0 Tf&#247;           > 30 04 54 66 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000000004FFF90, 16 bytes long.
 Data: <&#224; Tf&#247;           > E0 02 54 66 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x00000000004FF9F0, 16 bytes long.
 Data: <  Tf&#247;           > 10 04 54 66 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x00000000004FF8B0, 16 bytes long.
 Data: <p Tf&#247;           > 70 04 54 66 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000000000500580, 16 bytes long.
 Data: < &#192;Rf&#247;           > 18 C0 52 66 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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