Task 38671850

Name test_666-GPUGRID_TEST_ATM_40STEP_20261023-16-40-RND5125_0
Workunit 31614035
Created 25 Oct 2026, 21:45:01 UTC
Sent 25 Oct 2026, 21:45:16 UTC
Report deadline 30 Oct 2026, 21:45:16 UTC
Received 25 Oct 2026, 22:50:02 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 648022
Run time 29 min 50 sec
CPU time 27 min 59 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 18,986.54 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 808.31 MB
Peak swap size 10.01 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
00:20:26 (34664): wrapper (7.9.26016): starting
00:20:26 (34664): 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
00:20:27 (34664): Library/usr/bin/tar.exe exited; CPU time 0.000000
00:20:27 (34664): 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
00:49:32 (34664): C:/Windows/system32/cmd.exe exited; CPU time 1679.296875
00:49:32 (34664): 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: 49876977 bytes.
Dumping objects ->
{3835491} normal block at 0x000001D049075060, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835480} normal block at 0x000001D0490753E0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835469} normal block at 0x000001D049074E30, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835458} normal block at 0x000001D047214970, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835447} normal block at 0x000001D047215070, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835416} normal block at 0x000001D049016B00, 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) : {3835403} normal block at 0x000001D04720FA20, 8 bytes long.
 Data: <  }G&#208;   > 00 00 7D 47 D0 01 00 00 
{3833963} normal block at 0x000001D04720F160, 8 bytes long.
 Data: <&#176;&#227;&#242;H&#208;   > B0 E3 F2 48 D0 01 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x000001D04720E1E0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000001D047200B20, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{297} normal block at 0x000001D047216360, 16 bytes long.
 Data: < j!G&#208;           > 18 6A 21 47 D0 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001D0472159B0, 16 bytes long.
 Data: <&#240;i!G&#208;           > F0 69 21 47 D0 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001D0472105F0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{294} normal block at 0x000001D0472162C0, 16 bytes long.
 Data: <&#200;i!G&#208;           > C8 69 21 47 D0 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001D047216130, 16 bytes long.
 Data: <&#160;i!G&#208;           > A0 69 21 47 D0 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001D047215FF0, 16 bytes long.
 Data: <xi!G&#208;           > 78 69 21 47 D0 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001D047216540, 16 bytes long.
 Data: <Pi!G&#208;           > 50 69 21 47 D0 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001D047214C10, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{289} normal block at 0x000001D047215F50, 16 bytes long.
 Data: <&#248;&#183; G&#208;           > F8 B7 1F 47 D0 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001D04720FDB0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{287} normal block at 0x000001D047215BE0, 16 bytes long.
 Data: <&#208;&#183; G&#208;           > D0 B7 1F 47 D0 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001D047215960, 16 bytes long.
 Data: <&#168;&#183; G&#208;           > A8 B7 1F 47 D0 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001D047215F00, 16 bytes long.
 Data: < &#183; G&#208;           > 80 B7 1F 47 D0 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001D047215C80, 16 bytes long.
 Data: <X&#183; G&#208;           > 58 B7 1F 47 D0 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001D047216270, 16 bytes long.
 Data: <0&#183; G&#208;           > 30 B7 1F 47 D0 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001D047216180, 16 bytes long.
 Data: < &#183; G&#208;           > 08 B7 1F 47 D0 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001D047210770, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{279} normal block at 0x000001D047215AF0, 16 bytes long.
 Data: <&#224;&#182; G&#208;           > E0 B6 1F 47 D0 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001D0471FB6E0, 320 bytes long.
 Data: <&#240;Z!G&#208;   p !G&#208;   > F0 5A 21 47 D0 01 00 00 70 07 21 47 D0 01 00 00 
{277} normal block at 0x000001D047215AA0, 16 bytes long.
 Data: <0i!G&#208;           > 30 69 21 47 D0 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001D047216310, 16 bytes long.
 Data: < i!G&#208;           > 08 69 21 47 D0 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001D04720FFF0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{274} normal block at 0x000001D0472160E0, 16 bytes long.
 Data: <&#224;h!G&#208;           > E0 68 21 47 D0 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001D0472102F0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{272} normal block at 0x000001D047215C30, 16 bytes long.
 Data: <(h!G&#208;           > 28 68 21 47 D0 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001D047215E60, 16 bytes long.
 Data: < h!G&#208;           > 00 68 21 47 D0 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001D047215EB0, 16 bytes long.
 Data: <&#216;g!G&#208;           > D8 67 21 47 D0 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001D047216040, 16 bytes long.
 Data: <&#176;g!G&#208;           > B0 67 21 47 D0 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001D0472163B0, 16 bytes long.
 Data: < g!G&#208;           > 88 67 21 47 D0 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001D0472157D0, 16 bytes long.
 Data: <`g!G&#208;           > 60 67 21 47 D0 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001D047215870, 16 bytes long.
 Data: <&#224;I!G&#208;           > E0 49 21 47 D0 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001D0472149E0, 40 bytes long.
 Data: <pX!G&#208;    k I&#208;   > 70 58 21 47 D0 01 00 00 00 6B 01 49 D0 01 00 00 
{263} normal block at 0x000001D047215FA0, 16 bytes long.
 Data: <@g!G&#208;           > 40 67 21 47 D0 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001D0472164F0, 16 bytes long.
 Data: < g!G&#208;           > 18 67 21 47 D0 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001D047210050, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{260} normal block at 0x000001D047216090, 16 bytes long.
 Data: <&#240;f!G&#208;           > F0 66 21 47 D0 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001D0472166F0, 992 bytes long.
 Data: < `!G&#208;   P !G&#208;   > 90 60 21 47 D0 01 00 00 50 00 21 47 D0 01 00 00 
{95} normal block at 0x000001D047210410, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{94} normal block at 0x000001D04720F660, 16 bytes long.
 Data: <@N!G&#208;           > 40 4E 21 47 D0 01 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x000001D047214E40, 40 bytes long.
 Data: <`&#246; G&#208;     !G&#208;   > 60 F6 20 47 D0 01 00 00 10 04 21 47 D0 01 00 00 
{72} normal block at 0x000001D04720FB60, 16 bytes long.
 Data: < &#234;&#249;P&#246;           > 80 EA F9 50 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001D04720F110, 16 bytes long.
 Data: <@&#233;&#249;P&#246;           > 40 E9 F9 50 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001D04720EE90, 16 bytes long.
 Data: <&#248;W&#246;P&#246;           > F8 57 F6 50 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001D04720F7A0, 16 bytes long.
 Data: <&#216;W&#246;P&#246;           > D8 57 F6 50 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001D04720F700, 16 bytes long.
 Data: <P &#246;P&#246;           > 50 04 F6 50 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001D04720F0C0, 16 bytes long.
 Data: <0 &#246;P&#246;           > 30 04 F6 50 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001D04720EF80, 16 bytes long.
 Data: <&#224; &#246;P&#246;           > E0 02 F6 50 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001D04720F7F0, 16 bytes long.
 Data: <  &#246;P&#246;           > 10 04 F6 50 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001D04720F980, 16 bytes long.
 Data: <p &#246;P&#246;           > 70 04 F6 50 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001D04720FAC0, 16 bytes long.
 Data: < &#192;&#244;P&#246;           > 18 C0 F4 50 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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