Task 38657707

Name test_671-GPUGRID_TEST_ATM_2STEP_20261024-0-2-RND5897_0
Workunit 31601336
Created 24 Oct 2026, 11:56:27 UTC
Sent 24 Oct 2026, 12:22:39 UTC
Report deadline 29 Oct 2026, 12:22:39 UTC
Received 25 Oct 2026, 21:25:39 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 641545
Run time 23 min 57 sec
CPU time 23 min 57 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 30,562.35 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 696.79 MB
Peak swap size 5.41 GB
Peak disk usage 2.97 GB

Stderr output

<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
16:34:40 (51620): wrapper (7.9.26016): starting
16:34:40 (51620): 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
16:34:41 (51620): Library/usr/bin/tar.exe exited; CPU time 0.031250
16:34:41 (51620): 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 'E:\bonic2\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 'E:\bonic2\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
17:58:28 (51620): C:/Windows/system32/cmd.exe exited; CPU time 1437.218750
17:58:28 (51620): called boinc_finish(0)
0 bytes in 0 Free Blocks.
176 bytes in 6 Normal Blocks.
2288 bytes in 2 CRT Blocks.
0 bytes in 0 Ignore Blocks.
0 bytes in 0 Client Blocks.
Largest number used: 0 bytes.
Total allocations: 101065767 bytes.
Dumping objects ->
{3835412} normal block at 0x000001803D558A60, 48 bytes long.
 Data: <PATH=E:\bonic2\s> 50 41 54 48 3D 45 3A 5C 62 6F 6E 69 63 32 5C 73 
{3835401} normal block at 0x000001803F25F510, 32 bytes long.
 Data: <HOME=E:\bonic2\s> 48 4F 4D 45 3D 45 3A 5C 62 6F 6E 69 63 32 5C 73 
{3835390} normal block at 0x000001803F25F5D0, 32 bytes long.
 Data: <TMP=E:\bonic2\sl> 54 4D 50 3D 45 3A 5C 62 6F 6E 69 63 32 5C 73 6C 
{3835379} normal block at 0x000001803F260890, 32 bytes long.
 Data: <TEMP=E:\bonic2\s> 54 45 4D 50 3D 45 3A 5C 62 6F 6E 69 63 32 5C 73 
{3835368} normal block at 0x000001803F260710, 32 bytes long.
 Data: <TMPDIR=E:\bonic2> 54 4D 50 44 49 52 3D 45 3A 5C 62 6F 6E 69 63 32 
{3835337} normal block at 0x000001803D558520, 48 bytes long.
 Data: <PATH=E:\bonic2\s> 50 41 54 48 3D 45 3A 5C 62 6F 6E 69 63 32 5C 73 
..\api\boinc_api.cpp(309) : {3835324} normal block at 0x000001803D52BAB0, 8 bytes long.
 Data: <  &#155;=    > 00 00 9B 3D 80 01 00 00 
{3833987} normal block at 0x000001803D52BB50, 8 bytes long.
 Data: <&#208;&#234; ?    > D0 EA 12 3F 80 01 00 00 
..\zip\boinc_zip.cpp(122) : {325} normal block at 0x000001803D5311C0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{310} normal block at 0x000001803D527880, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{309} normal block at 0x000001803D535770, 16 bytes long.
 Data: <H`S=            > 48 60 53 3D 80 01 00 00 00 00 00 00 00 00 00 00 
{308} normal block at 0x000001803D535720, 16 bytes long.
 Data: < `S=            > 20 60 53 3D 80 01 00 00 00 00 00 00 00 00 00 00 
{307} normal block at 0x000001803D52DD30, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{306} normal block at 0x000001803D535310, 16 bytes long.
 Data: <&#248;_S=            > F8 5F 53 3D 80 01 00 00 00 00 00 00 00 00 00 00 
{305} normal block at 0x000001803D535590, 16 bytes long.
 Data: <&#208;_S=            > D0 5F 53 3D 80 01 00 00 00 00 00 00 00 00 00 00 
{304} normal block at 0x000001803D535540, 16 bytes long.
 Data: <&#168;_S=            > A8 5F 53 3D 80 01 00 00 00 00 00 00 00 00 00 00 
{303} normal block at 0x000001803D534C80, 16 bytes long.
 Data: < _S=            > 80 5F 53 3D 80 01 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x000001803D52E9A0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{301} normal block at 0x000001803D534FA0, 16 bytes long.
 Data: <h&#163;R=            > 68 A3 52 3D 80 01 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x000001803D52E390, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{299} normal block at 0x000001803D5356D0, 16 bytes long.
 Data: <@&#163;R=            > 40 A3 52 3D 80 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001803D535090, 16 bytes long.
 Data: < &#163;R=            > 18 A3 52 3D 80 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001803D5351D0, 16 bytes long.
 Data: <&#240;&#162;R=            > F0 A2 52 3D 80 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001803D535630, 16 bytes long.
 Data: <&#200;&#162;R=            > C8 A2 52 3D 80 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001803D535360, 16 bytes long.
 Data: <&#160;&#162;R=            > A0 A2 52 3D 80 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001803D534FF0, 16 bytes long.
 Data: <x&#162;R=            > 78 A2 52 3D 80 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001803D52DD90, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{291} normal block at 0x000001803D534A00, 16 bytes long.
 Data: <P&#162;R=            > 50 A2 52 3D 80 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001803D52A250, 320 bytes long.
 Data: < JS=     &#221;R=    > 00 4A 53 3D 80 01 00 00 90 DD 52 3D 80 01 00 00 
{289} normal block at 0x000001803D534DC0, 16 bytes long.
 Data: <`_S=            > 60 5F 53 3D 80 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001803D534AA0, 16 bytes long.
 Data: <8_S=            > 38 5F 53 3D 80 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001803D52E270, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{286} normal block at 0x000001803D534E10, 16 bytes long.
 Data: < _S=            > 10 5F 53 3D 80 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001803D52DEB0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{284} normal block at 0x000001803D5355E0, 16 bytes long.
 Data: <X^S=            > 58 5E 53 3D 80 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001803D534F50, 16 bytes long.
 Data: <0^S=            > 30 5E 53 3D 80 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001803D535040, 16 bytes long.
 Data: < ^S=            > 08 5E 53 3D 80 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001803D534A50, 16 bytes long.
 Data: <&#224;]S=            > E0 5D 53 3D 80 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001803D5349B0, 16 bytes long.
 Data: <&#184;]S=            > B8 5D 53 3D 80 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001803D534D70, 16 bytes long.
 Data: < ]S=            > 90 5D 53 3D 80 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001803D5354F0, 16 bytes long.
 Data: <P&#232;R=            > 50 E8 52 3D 80 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001803D52E850, 40 bytes long.
 Data: <&#240;TS=     &#133;U=    > F0 54 53 3D 80 01 00 00 20 85 55 3D 80 01 00 00 
{275} normal block at 0x000001803D5354A0, 16 bytes long.
 Data: <p]S=            > 70 5D 53 3D 80 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001803D534BE0, 16 bytes long.
 Data: <H]S=            > 48 5D 53 3D 80 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001803D52E330, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{272} normal block at 0x000001803D534EB0, 16 bytes long.
 Data: < ]S=            > 20 5D 53 3D 80 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001803D535D20, 992 bytes long.
 Data: <&#176;NS=    0&#227;R=    > B0 4E 53 3D 80 01 00 00 30 E3 52 3D 80 01 00 00 
{107} normal block at 0x000001803D52D970, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{106} normal block at 0x000001803D52BA10, 16 bytes long.
 Data: <`&#235;R=            > 60 EB 52 3D 80 01 00 00 00 00 00 00 00 00 00 00 
{105} normal block at 0x000001803D52EB60, 40 bytes long.
 Data: < &#186;R=    p&#217;R=    > 10 BA 52 3D 80 01 00 00 70 D9 52 3D 80 01 00 00 
{84} normal block at 0x000001803D52B830, 16 bytes long.
 Data: < &#234;&#184;Z&#246;           > 80 EA B8 5A F6 7F 00 00 00 00 00 00 00 00 00 00 
{83} normal block at 0x000001803D52C050, 16 bytes long.
 Data: <@&#233;&#184;Z&#246;           > 40 E9 B8 5A F6 7F 00 00 00 00 00 00 00 00 00 00 
{82} normal block at 0x000001803D52C3C0, 16 bytes long.
 Data: <&#248;W&#181;Z&#246;           > F8 57 B5 5A F6 7F 00 00 00 00 00 00 00 00 00 00 
{81} normal block at 0x000001803D52C280, 16 bytes long.
 Data: <&#216;W&#181;Z&#246;           > D8 57 B5 5A F6 7F 00 00 00 00 00 00 00 00 00 00 
{80} normal block at 0x000001803D52B8D0, 16 bytes long.
 Data: <P &#181;Z&#246;           > 50 04 B5 5A F6 7F 00 00 00 00 00 00 00 00 00 00 
{79} normal block at 0x000001803D52B7E0, 16 bytes long.
 Data: <0 &#181;Z&#246;           > 30 04 B5 5A F6 7F 00 00 00 00 00 00 00 00 00 00 
{78} normal block at 0x000001803D52BA60, 16 bytes long.
 Data: <&#224; &#181;Z&#246;           > E0 02 B5 5A F6 7F 00 00 00 00 00 00 00 00 00 00 
{77} normal block at 0x000001803D52B790, 16 bytes long.
 Data: <  &#181;Z&#246;           > 10 04 B5 5A F6 7F 00 00 00 00 00 00 00 00 00 00 
{76} normal block at 0x000001803D52B740, 16 bytes long.
 Data: <p &#181;Z&#246;           > 70 04 B5 5A F6 7F 00 00 00 00 00 00 00 00 00 00 
{75} normal block at 0x000001803D52BBF0, 16 bytes long.
 Data: < &#192;&#179;Z&#246;           > 18 C0 B3 5A F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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