Task 38666679

Name test_888-GPUGRID_TEST_ATM_40STEP_20261023-5-40-RND3442_1
Workunit 31606368
Created 25 Oct 2026, 4:21:15 UTC
Sent 25 Oct 2026, 4:43:23 UTC
Report deadline 30 Oct 2026, 4:43:23 UTC
Received 25 Oct 2026, 14:36:19 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 647966
Run time 52 min 39 sec
CPU time 34 min 41 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 29,771.31 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 752.26 MB
Peak swap size 13.42 GB
Peak disk usage 3.02 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
20:39:47 (11688): wrapper (7.9.26016): starting
20:39:47 (11688): 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
20:40:37 (11688): Library/usr/bin/tar.exe exited; CPU time 0.156250
20:40:37 (11688): 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\37\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\37\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
21:31:07 (11688): C:/Windows/system32/cmd.exe exited; CPU time 2081.718750
21:31:07 (11688): 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: 39713917 bytes.
Dumping objects ->
{3835242} normal block at 0x00000268BA4DE420, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835231} normal block at 0x00000268BA4DD690, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835220} normal block at 0x00000268BA4DDEE0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835209} normal block at 0x00000268BA4DDE00, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835198} normal block at 0x00000268B8684C90, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835167} normal block at 0x00000268BA52A2C0, 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) : {3835154} normal block at 0x00000268B867AE50, 8 bytes long.
 Data: <  &#199;&#184;h   > 00 00 C7 B8 68 02 00 00 
{3833985} normal block at 0x00000268B867B760, 8 bytes long.
 Data: <0&#142;Q&#186;h   > 30 8E 51 BA 68 02 00 00 
..\zip\boinc_zip.cpp(122) : {324} normal block at 0x00000268B8681CE0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{309} normal block at 0x00000268B8678020, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{308} normal block at 0x00000268B8686AB0, 16 bytes long.
 Data: <Hxh&#184;h           > 48 78 68 B8 68 02 00 00 00 00 00 00 00 00 00 00 
{307} normal block at 0x00000268B86868D0, 16 bytes long.
 Data: < xh&#184;h           > 20 78 68 B8 68 02 00 00 00 00 00 00 00 00 00 00 
{306} normal block at 0x00000268B867F920, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{305} normal block at 0x00000268B8686A10, 16 bytes long.
 Data: <&#248;wh&#184;h           > F8 77 68 B8 68 02 00 00 00 00 00 00 00 00 00 00 
{304} normal block at 0x00000268B8686D80, 16 bytes long.
 Data: <&#208;wh&#184;h           > D0 77 68 B8 68 02 00 00 00 00 00 00 00 00 00 00 
{303} normal block at 0x00000268B8686C90, 16 bytes long.
 Data: <&#168;wh&#184;h           > A8 77 68 B8 68 02 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x00000268B8686920, 16 bytes long.
 Data: < wh&#184;h           > 80 77 68 B8 68 02 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x00000268B8684910, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{300} normal block at 0x00000268B86866A0, 16 bytes long.
 Data: <h&#246;f&#184;h           > 68 F6 66 B8 68 02 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x00000268B867FB60, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{298} normal block at 0x00000268B8686A60, 16 bytes long.
 Data: <@&#246;f&#184;h           > 40 F6 66 B8 68 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000268B8686C40, 16 bytes long.
 Data: < &#246;f&#184;h           > 18 F6 66 B8 68 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000268B8686B50, 16 bytes long.
 Data: <&#240;&#245;f&#184;h           > F0 F5 66 B8 68 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000268B8686830, 16 bytes long.
 Data: <&#200;&#245;f&#184;h           > C8 F5 66 B8 68 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000268B8686D30, 16 bytes long.
 Data: <&#160;&#245;f&#184;h           > A0 F5 66 B8 68 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000268B8686CE0, 16 bytes long.
 Data: <x&#245;f&#184;h           > 78 F5 66 B8 68 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000268B867FB00, 32 bytes long.
 Data: <CUDA_DEVICE=1 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 31 00 50 55 
{290} normal block at 0x00000268B8687230, 16 bytes long.
 Data: <P&#245;f&#184;h           > 50 F5 66 B8 68 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000268B866F550, 320 bytes long.
 Data: <0rh&#184;h    &#251;g&#184;h   > 30 72 68 B8 68 02 00 00 00 FB 67 B8 68 02 00 00 
{288} normal block at 0x00000268B8686650, 16 bytes long.
 Data: <`wh&#184;h           > 60 77 68 B8 68 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000268B86866F0, 16 bytes long.
 Data: <8wh&#184;h           > 38 77 68 B8 68 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000268B867F080, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{285} normal block at 0x00000268B8687280, 16 bytes long.
 Data: < wh&#184;h           > 10 77 68 B8 68 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000268B867FA40, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{283} normal block at 0x00000268B8686BF0, 16 bytes long.
 Data: <Xvh&#184;h           > 58 76 68 B8 68 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000268B8686970, 16 bytes long.
 Data: <0vh&#184;h           > 30 76 68 B8 68 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000268B86870A0, 16 bytes long.
 Data: < vh&#184;h           > 08 76 68 B8 68 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000268B86867E0, 16 bytes long.
 Data: <&#224;uh&#184;h           > E0 75 68 B8 68 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000268B8687050, 16 bytes long.
 Data: <&#184;uh&#184;h           > B8 75 68 B8 68 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000268B8687190, 16 bytes long.
 Data: < uh&#184;h           > 90 75 68 B8 68 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000268B8686600, 16 bytes long.
 Data: <0Hh&#184;h           > 30 48 68 B8 68 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000268B8684830, 40 bytes long.
 Data: < fh&#184;h   &#192;&#162;R&#186;h   > 00 66 68 B8 68 02 00 00 C0 A2 52 BA 68 02 00 00 
{274} normal block at 0x00000268B8686E70, 16 bytes long.
 Data: <puh&#184;h           > 70 75 68 B8 68 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000268B8686740, 16 bytes long.
 Data: <Huh&#184;h           > 48 75 68 B8 68 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000268B867FBC0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{271} normal block at 0x00000268B8686BA0, 16 bytes long.
 Data: < uh&#184;h           > 20 75 68 B8 68 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000268B8687520, 992 bytes long.
 Data: <&#160;kh&#184;h   &#192;&#251;g&#184;h   > A0 6B 68 B8 68 02 00 00 C0 FB 67 B8 68 02 00 00 
{106} normal block at 0x00000268B867F260, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{105} normal block at 0x00000268B867AE00, 16 bytes long.
 Data: <&#208;Jh&#184;h           > D0 4A 68 B8 68 02 00 00 00 00 00 00 00 00 00 00 
{104} normal block at 0x00000268B8684AD0, 40 bytes long.
 Data: < &#174;g&#184;h   `&#242;g&#184;h   > 00 AE 67 B8 68 02 00 00 60 F2 67 B8 68 02 00 00 
{83} normal block at 0x00000268B867BBC0, 16 bytes long.
 Data: < &#234;&#158;"&#246;           > 80 EA 9E 22 F6 7F 00 00 00 00 00 00 00 00 00 00 
{82} normal block at 0x00000268B867B0D0, 16 bytes long.
 Data: <@&#233;&#158;"&#246;           > 40 E9 9E 22 F6 7F 00 00 00 00 00 00 00 00 00 00 
{81} normal block at 0x00000268B867B6C0, 16 bytes long.
 Data: <&#248;W&#155;"&#246;           > F8 57 9B 22 F6 7F 00 00 00 00 00 00 00 00 00 00 
{80} normal block at 0x00000268B867B940, 16 bytes long.
 Data: <&#216;W&#155;"&#246;           > D8 57 9B 22 F6 7F 00 00 00 00 00 00 00 00 00 00 
{79} normal block at 0x00000268B867B210, 16 bytes long.
 Data: <P &#155;"&#246;           > 50 04 9B 22 F6 7F 00 00 00 00 00 00 00 00 00 00 
{78} normal block at 0x00000268B867B120, 16 bytes long.
 Data: <0 &#155;"&#246;           > 30 04 9B 22 F6 7F 00 00 00 00 00 00 00 00 00 00 
{77} normal block at 0x00000268B867BA30, 16 bytes long.
 Data: <&#224; &#155;"&#246;           > E0 02 9B 22 F6 7F 00 00 00 00 00 00 00 00 00 00 
{76} normal block at 0x00000268B867B260, 16 bytes long.
 Data: <  &#155;"&#246;           > 10 04 9B 22 F6 7F 00 00 00 00 00 00 00 00 00 00 
{75} normal block at 0x00000268B867B580, 16 bytes long.
 Data: <p &#155;"&#246;           > 70 04 9B 22 F6 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x00000268B867B3A0, 16 bytes long.
 Data: < &#192; "&#246;           > 18 C0 99 22 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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