Task 38662638

Name test_671-GPUGRID_TEST_ATM_40STEP_20261023-5-40-RND4866_0
Workunit 31605886
Created 24 Oct 2026, 20:01:01 UTC
Sent 24 Oct 2026, 20:01:05 UTC
Report deadline 29 Oct 2026, 20:01:05 UTC
Received 24 Oct 2026, 21:14:54 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 625666
Run time 35 min 12 sec
CPU time 32 min 20 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 16,200.74 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 698.85 MB
Peak swap size 6.89 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
15:07:21 (16712): wrapper (7.9.26016): starting
15:07:21 (16712): 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
15:07:23 (16712): Library/usr/bin/tar.exe exited; CPU time 0.000000
15:07:23 (16712): 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 'G:\BOINC\DATA\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 'G:\BOINC\DATA\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
15:40:36 (16712): C:/Windows/system32/cmd.exe exited; CPU time 1940.218750
15:40:36 (16712): called boinc_finish(0)
0 bytes in 0 Free Blocks.
346 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: 35757702 bytes.
Dumping objects ->
{3835291} normal block at 0x00000227E73F11E0, 48 bytes long.
 Data: <PATH=G:\BOINC\DA> 50 41 54 48 3D 47 3A 5C 42 4F 49 4E 43 5C 44 41 
{3835280} normal block at 0x00000227E75C4660, 32 bytes long.
 Data: <HOME=G:\BOINC\DA> 48 4F 4D 45 3D 47 3A 5C 42 4F 49 4E 43 5C 44 41 
{3835269} normal block at 0x00000227E75C5080, 32 bytes long.
 Data: <TMP=G:\BOINC\DAT> 54 4D 50 3D 47 3A 5C 42 4F 49 4E 43 5C 44 41 54 
{3835258} normal block at 0x00000227E75C52C0, 32 bytes long.
 Data: <TEMP=G:\BOINC\DA> 54 45 4D 50 3D 47 3A 5C 42 4F 49 4E 43 5C 44 41 
{3835247} normal block at 0x00000227E75C4BA0, 32 bytes long.
 Data: <TMPDIR=G:\BOINC\> 54 4D 50 44 49 52 3D 47 3A 5C 42 4F 49 4E 43 5C 
{3835216} normal block at 0x00000227E73F08B0, 48 bytes long.
 Data: <PATH=G:\BOINC\DA> 50 41 54 48 3D 47 3A 5C 42 4F 49 4E 43 5C 44 41 
{3835205} normal block at 0x00000227E752D510, 85 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) : {3835202} normal block at 0x00000227E5A07400, 8 bytes long.
 Data: <   &#229;'   > 00 00 9D E5 27 02 00 00 
{3834574} normal block at 0x00000227E752DC90, 85 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833965} normal block at 0x00000227E5A06C80, 8 bytes long.
 Data: <PzX&#231;'   > 50 7A 58 E7 27 02 00 00 
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x00000227E5A10940, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x00000227E5A0D4C0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{298} normal block at 0x00000227E5A12060, 16 bytes long.
 Data: < ?&#161;&#229;'           > 88 3F A1 E5 27 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000227E5A11B10, 16 bytes long.
 Data: <`?&#161;&#229;'           > 60 3F A1 E5 27 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000227E5A0BE30, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{295} normal block at 0x00000227E5A11980, 16 bytes long.
 Data: <8?&#161;&#229;'           > 38 3F A1 E5 27 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000227E5A12010, 16 bytes long.
 Data: < ?&#161;&#229;'           > 10 3F A1 E5 27 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000227E5A11930, 16 bytes long.
 Data: <&#232;>&#161;&#229;'           > E8 3E A1 E5 27 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000227E5A118E0, 16 bytes long.
 Data: <&#192;>&#161;&#229;'           > C0 3E A1 E5 27 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000227E5A0DA00, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{290} normal block at 0x00000227E5A11FC0, 16 bytes long.
 Data: <&#248;&#179;&#159;&#229;'           > F8 B3 9F E5 27 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000227E5A0C610, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{288} normal block at 0x00000227E5A11A70, 16 bytes long.
 Data: <&#208;&#179;&#159;&#229;'           > D0 B3 9F E5 27 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000227E5A11F70, 16 bytes long.
 Data: <&#168;&#179;&#159;&#229;'           > A8 B3 9F E5 27 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000227E5A12510, 16 bytes long.
 Data: < &#179;&#159;&#229;'           > 80 B3 9F E5 27 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000227E5A11890, 16 bytes long.
 Data: <X&#179;&#159;&#229;'           > 58 B3 9F E5 27 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000227E5A12380, 16 bytes long.
 Data: <0&#179;&#159;&#229;'           > 30 B3 9F E5 27 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000227E5A11A20, 16 bytes long.
 Data: < &#179;&#159;&#229;'           > 08 B3 9F E5 27 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000227E5A0C490, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{280} normal block at 0x00000227E5A12470, 16 bytes long.
 Data: <&#224;&#178;&#159;&#229;'           > E0 B2 9F E5 27 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000227E59FB2E0, 320 bytes long.
 Data: <p$&#161;&#229;'    &#196;&#160;&#229;'   > 70 24 A1 E5 27 02 00 00 90 C4 A0 E5 27 02 00 00 
{278} normal block at 0x00000227E5A12330, 16 bytes long.
 Data: <&#160;>&#161;&#229;'           > A0 3E A1 E5 27 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000227E5A11D90, 16 bytes long.
 Data: <x>&#161;&#229;'           > 78 3E A1 E5 27 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000227E5A0C070, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{275} normal block at 0x00000227E5A12790, 16 bytes long.
 Data: <P>&#161;&#229;'           > 50 3E A1 E5 27 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000227E5A0BD70, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{273} normal block at 0x00000227E5A122E0, 16 bytes long.
 Data: < =&#161;&#229;'           > 98 3D A1 E5 27 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000227E5A121A0, 16 bytes long.
 Data: <p=&#161;&#229;'           > 70 3D A1 E5 27 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000227E5A123D0, 16 bytes long.
 Data: <H=&#161;&#229;'           > 48 3D A1 E5 27 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000227E5A124C0, 16 bytes long.
 Data: < =&#161;&#229;'           > 20 3D A1 E5 27 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000227E5A11AC0, 16 bytes long.
 Data: <&#248;<&#161;&#229;'           > F8 3C A1 E5 27 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000227E5A125B0, 16 bytes long.
 Data: <&#208;<&#161;&#229;'           > D0 3C A1 E5 27 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000227E5A12740, 16 bytes long.
 Data: <p&#218;&#160;&#229;'           > 70 DA A0 E5 27 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000227E5A0DA70, 40 bytes long.
 Data: <@'&#161;&#229;'   &#176; ?&#231;'   > 40 27 A1 E5 27 02 00 00 B0 08 3F E7 27 02 00 00 
{264} normal block at 0x00000227E5A11C00, 16 bytes long.
 Data: <&#176;<&#161;&#229;'           > B0 3C A1 E5 27 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000227E5A11E80, 16 bytes long.
 Data: < <&#161;&#229;'           > 88 3C A1 E5 27 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000227E5A0C5B0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{261} normal block at 0x00000227E5A12650, 16 bytes long.
 Data: <`<&#161;&#229;'           > 60 3C A1 E5 27 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000227E5A13C60, 992 bytes long.
 Data: <P&&#161;&#229;'   &#176;&#197;&#160;&#229;'   > 50 26 A1 E5 27 02 00 00 B0 C5 A0 E5 27 02 00 00 
{96} normal block at 0x00000227E5A0BAD0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{95} normal block at 0x00000227E5A07360, 16 bytes long.
 Data: < &#214;&#160;&#229;'           > 80 D6 A0 E5 27 02 00 00 00 00 00 00 00 00 00 00 
{94} normal block at 0x00000227E5A0D680, 40 bytes long.
 Data: <`s&#160;&#229;'   &#208;&#186;&#160;&#229;'   > 60 73 A0 E5 27 02 00 00 D0 BA A0 E5 27 02 00 00 
{73} normal block at 0x00000227E5A07630, 16 bytes long.
 Data: < &#234;&#210;&#150;&#246;           > 80 EA D2 96 F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x00000227E5A06FF0, 16 bytes long.
 Data: <@&#233;&#210;&#150;&#246;           > 40 E9 D2 96 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x00000227E5A06DC0, 16 bytes long.
 Data: <&#248;W&#207;&#150;&#246;           > F8 57 CF 96 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000227E5A06D70, 16 bytes long.
 Data: <&#216;W&#207;&#150;&#246;           > D8 57 CF 96 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000227E5A06F50, 16 bytes long.
 Data: <P &#207;&#150;&#246;           > 50 04 CF 96 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000227E5A071D0, 16 bytes long.
 Data: <0 &#207;&#150;&#246;           > 30 04 CF 96 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000227E5A06B90, 16 bytes long.
 Data: <&#224; &#207;&#150;&#246;           > E0 02 CF 96 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000227E5A06E10, 16 bytes long.
 Data: <  &#207;&#150;&#246;           > 10 04 CF 96 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000227E5A06B40, 16 bytes long.
 Data: <p &#207;&#150;&#246;           > 70 04 CF 96 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000227E5A07220, 16 bytes long.
 Data: < &#192;&#205;&#150;&#246;           > 18 C0 CD 96 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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