Task 38670415

Name test_599-GPUGRID_TEST_ATM_40STEP_20261023-12-40-RND0540_0
Workunit 31612667
Created 25 Oct 2026, 17:27:31 UTC
Sent 25 Oct 2026, 17:27:33 UTC
Report deadline 30 Oct 2026, 17:27:33 UTC
Received 25 Oct 2026, 18:56:42 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 601046
Run time 28 min 44 sec
CPU time 24 min 51 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 35,585.07 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 703.77 MB
Peak swap size 8.49 GB
Peak disk usage 3.97 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
14:27:48 (11580): wrapper (7.9.26016): starting
14:27:48 (11580): 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
14:27:49 (11580): Library/usr/bin/tar.exe exited; CPU time 0.000000
14:27:49 (11580): 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\21\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\21\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
14:54:59 (11580): C:/Windows/system32/cmd.exe exited; CPU time 1491.062500
14:54:59 (11580): called boinc_finish(0)
0 bytes in 0 Free Blocks.
462 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: 31968899 bytes.
Dumping objects ->
{3835236} normal block at 0x000002755ED54B20, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835225} normal block at 0x000002755ED54A40, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835214} normal block at 0x000002755ED549D0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835203} normal block at 0x000002755ED54B90, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835192} normal block at 0x000002755ED54960, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835161} normal block at 0x0000027560B38180, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835150} normal block at 0x0000027560B4F200, 103 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) : {3835147} normal block at 0x000002755ED4EFA0, 8 bytes long.
 Data: <  &#207;^u   > 00 00 CF 5E 75 02 00 00 
{3834543} normal block at 0x0000027560B4F150, 103 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833959} normal block at 0x000002755ED4F180, 8 bytes long.
 Data: <PS&#188;`u   > 50 53 BC 60 75 02 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x000002755ED50D90, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000002755ED3F9D0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{295} normal block at 0x000002755ED557D0, 16 bytes long.
 Data: <&#232;g&#213;^u           > E8 67 D5 5E 75 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000002755ED555F0, 16 bytes long.
 Data: <&#192;g&#213;^u           > C0 67 D5 5E 75 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002755ED4FAE0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{292} normal block at 0x000002755ED56040, 16 bytes long.
 Data: < g&#213;^u           > 98 67 D5 5E 75 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002755ED55AF0, 16 bytes long.
 Data: <pg&#213;^u           > 70 67 D5 5E 75 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002755ED559B0, 16 bytes long.
 Data: <Hg&#213;^u           > 48 67 D5 5E 75 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002755ED55730, 16 bytes long.
 Data: < g&#213;^u           > 20 67 D5 5E 75 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002755ED54C70, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{287} normal block at 0x000002755ED55EB0, 16 bytes long.
 Data: <  &#212;^u           > 18 90 D4 5E 75 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002755ED4FEA0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{285} normal block at 0x000002755ED55FF0, 16 bytes long.
 Data: <&#240; &#212;^u           > F0 8F D4 5E 75 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002755ED56360, 16 bytes long.
 Data: <&#200; &#212;^u           > C8 8F D4 5E 75 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002755ED55F00, 16 bytes long.
 Data: <&#160; &#212;^u           > A0 8F D4 5E 75 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002755ED563B0, 16 bytes long.
 Data: <x &#212;^u           > 78 8F D4 5E 75 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002755ED56220, 16 bytes long.
 Data: <P &#212;^u           > 50 8F D4 5E 75 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002755ED55E60, 16 bytes long.
 Data: <( &#212;^u           > 28 8F D4 5E 75 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002755ED4FA20, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{277} normal block at 0x000002755ED555A0, 16 bytes long.
 Data: <  &#212;^u           > 00 8F D4 5E 75 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002755ED48F00, 320 bytes long.
 Data: <&#160;U&#213;^u    &#250;&#212;^u   > A0 55 D5 5E 75 02 00 00 20 FA D4 5E 75 02 00 00 
{275} normal block at 0x000002755ED55F50, 16 bytes long.
 Data: < g&#213;^u           > 00 67 D5 5E 75 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002755ED55FA0, 16 bytes long.
 Data: <&#216;f&#213;^u           > D8 66 D5 5E 75 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002755ED4FFC0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{272} normal block at 0x000002755ED55BE0, 16 bytes long.
 Data: <&#176;f&#213;^u           > B0 66 D5 5E 75 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002755ED4FB40, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{270} normal block at 0x000002755ED55500, 16 bytes long.
 Data: <&#248;e&#213;^u           > F8 65 D5 5E 75 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002755ED56450, 16 bytes long.
 Data: <&#208;e&#213;^u           > D0 65 D5 5E 75 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002755ED55E10, 16 bytes long.
 Data: <&#168;e&#213;^u           > A8 65 D5 5E 75 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002755ED55A00, 16 bytes long.
 Data: < e&#213;^u           > 80 65 D5 5E 75 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002755ED558C0, 16 bytes long.
 Data: <Xe&#213;^u           > 58 65 D5 5E 75 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002755ED55640, 16 bytes long.
 Data: <0e&#213;^u           > 30 65 D5 5E 75 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002755ED55910, 16 bytes long.
 Data: < L&#213;^u           > 00 4C D5 5E 75 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002755ED54C00, 40 bytes long.
 Data: < Y&#213;^u     &#179;`u   > 10 59 D5 5E 75 02 00 00 80 81 B3 60 75 02 00 00 
{261} normal block at 0x000002755ED56310, 16 bytes long.
 Data: < e&#213;^u           > 10 65 D5 5E 75 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000002755ED55870, 16 bytes long.
 Data: <&#232;d&#213;^u           > E8 64 D5 5E 75 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000002755ED507A0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{258} normal block at 0x000002755ED55B90, 16 bytes long.
 Data: <&#192;d&#213;^u           > C0 64 D5 5E 75 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000002755ED564C0, 992 bytes long.
 Data: < [&#213;^u   &#160; &#213;^u   > 90 5B D5 5E 75 02 00 00 A0 07 D5 5E 75 02 00 00 
{93} normal block at 0x000002755ED4FA80, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{92} normal block at 0x000002755ED4F680, 16 bytes long.
 Data: < &#226;&#211;^u           > 20 E2 D3 5E 75 02 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x000002755ED3E220, 40 bytes long.
 Data: < &#246;&#212;^u    &#250;&#212;^u   > 80 F6 D4 5E 75 02 00 00 80 FA D4 5E 75 02 00 00 
{70} normal block at 0x000002755ED4F130, 16 bytes long.
 Data: < &#234;hc&#246;           > 80 EA 68 63 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002755ED4F270, 16 bytes long.
 Data: <@&#233;hc&#246;           > 40 E9 68 63 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002755ED4F0E0, 16 bytes long.
 Data: <&#248;Wec&#246;           > F8 57 65 63 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002755ED4F090, 16 bytes long.
 Data: <&#216;Wec&#246;           > D8 57 65 63 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002755ED4F400, 16 bytes long.
 Data: <P ec&#246;           > 50 04 65 63 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002755ED4F810, 16 bytes long.
 Data: <0 ec&#246;           > 30 04 65 63 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002755ED4EC80, 16 bytes long.
 Data: <&#224; ec&#246;           > E0 02 65 63 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002755ED4F540, 16 bytes long.
 Data: <  ec&#246;           > 10 04 65 63 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002755ED4EA00, 16 bytes long.
 Data: <p ec&#246;           > 70 04 65 63 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002755ED4ED70, 16 bytes long.
 Data: < &#192;cc&#246;           > 18 C0 63 63 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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