Task 38687421

Name test_589-GPUGRID_TEST_ATM_40STEP_20261023-25-40-RND2647_0
Workunit 31628812
Created 28 Oct 2026, 7:43:43 UTC
Sent 28 Oct 2026, 7:43:52 UTC
Report deadline 2 Nov 2026, 7:43:52 UTC
Received 28 Oct 2026, 10:01:13 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 617005
Run time 1 hours 0 min 13 sec
CPU time 51 min 37 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 9,204.26 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 669.29 MB
Peak swap size 2.24 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
12:00:45 (19204): wrapper (7.9.26016): starting
12:00:45 (19204): 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
12:00:53 (19204): Library/usr/bin/tar.exe exited; CPU time 0.000000
12:00:53 (19204): 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 'D:\BOINC\slots\3\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 'D:\BOINC\slots\3\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
12:58:40 (19204): C:/Windows/system32/cmd.exe exited; CPU time 3097.812500
12:58:40 (19204): called boinc_finish(0)
0 bytes in 0 Free Blocks.
576 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: 57933753 bytes.
Dumping objects ->
{3835529} normal block at 0x00000264095011A0, 48 bytes long.
 Data: <PATH=D:\BOINC\sl> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835518} normal block at 0x000002640B035AD0, 32 bytes long.
 Data: <HOME=D:\BOINC\sl> 48 4F 4D 45 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835507} normal block at 0x000002640B035BF0, 32 bytes long.
 Data: <TMP=D:\BOINC\slo> 54 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 6F 
{3835496} normal block at 0x000002640B035B30, 32 bytes long.
 Data: <TEMP=D:\BOINC\sl> 54 45 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835485} normal block at 0x000002640B0358F0, 32 bytes long.
 Data: <TMPDIR=D:\BOINC\> 54 4D 50 44 49 52 3D 44 3A 5C 42 4F 49 4E 43 5C 
{3835454} normal block at 0x0000026409501050, 48 bytes long.
 Data: <PATH=D:\BOINC\sl> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835443} normal block at 0x00000264094F9550, 200 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) : {3835440} normal block at 0x00000264094F6970, 8 bytes long.
 Data: <  I	d   > 00 00 49 09 64 02 00 00 
{3834685} normal block at 0x00000264094F8BC0, 200 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833943} normal block at 0x00000264094F76E0, 8 bytes long.
 Data: < q&#255; d   > 10 71 FF 0A 64 02 00 00 
..\zip\boinc_zip.cpp(122) : {303} normal block at 0x0000026409501E90, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000264094E5F20, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{287} normal block at 0x0000026409503970, 16 bytes long.
 Data: < ?P	d           > 88 3F 50 09 64 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000264095038D0, 16 bytes long.
 Data: <`?P	d           > 60 3F 50 09 64 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000264094FBA30, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{284} normal block at 0x00000264095037E0, 16 bytes long.
 Data: <8?P	d           > 38 3F 50 09 64 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000264095031F0, 16 bytes long.
 Data: < ?P	d           > 10 3F 50 09 64 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000026409503010, 16 bytes long.
 Data: <&#232;>P	d           > E8 3E 50 09 64 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000026409503790, 16 bytes long.
 Data: <&#192;>P	d           > C0 3E 50 09 64 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000264095014B0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{279} normal block at 0x0000026409503B50, 16 bytes long.
 Data: <&#184;^N	d           > B8 5E 4E 09 64 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000264094FC510, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{277} normal block at 0x00000264095036A0, 16 bytes long.
 Data: <&#144;^N	d           > 90 5E 4E 09 64 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000264095035B0, 16 bytes long.
 Data: <h^N	d           > 68 5E 4E 09 64 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000026409502F20, 16 bytes long.
 Data: <@^N	d           > 40 5E 4E 09 64 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000026409503920, 16 bytes long.
 Data: < ^N	d           > 18 5E 4E 09 64 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000264095034C0, 16 bytes long.
 Data: <&#240;]N	d           > F0 5D 4E 09 64 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000026409503A60, 16 bytes long.
 Data: <&#200;]N	d           > C8 5D 4E 09 64 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000264094FB8B0, 32 bytes long.
 Data: <CUDA_DEVICE=1 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 31 00 50 55 
{269} normal block at 0x0000026409502CF0, 16 bytes long.
 Data: <&#160;]N	d           > A0 5D 4E 09 64 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000264094E5DA0, 320 bytes long.
 Data: <&#240;,P	d   &#176;&#184;O	d   > F0 2C 50 09 64 02 00 00 B0 B8 4F 09 64 02 00 00 
{267} normal block at 0x0000026409503470, 16 bytes long.
 Data: <&#160;>P	d           > A0 3E 50 09 64 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000264095033D0, 16 bytes long.
 Data: <x>P	d           > 78 3E 50 09 64 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000264094FB7F0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{264} normal block at 0x0000026409503380, 16 bytes long.
 Data: <P>P	d           > 50 3E 50 09 64 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000264094FBE50, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{262} normal block at 0x00000264095031A0, 16 bytes long.
 Data: < =P	d           > 98 3D 50 09 64 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000264095032E0, 16 bytes long.
 Data: <p=P	d           > 70 3D 50 09 64 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000026409503830, 16 bytes long.
 Data: <H=P	d           > 48 3D 50 09 64 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000026409502ED0, 16 bytes long.
 Data: < =P	d           > 20 3D 50 09 64 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000026409503240, 16 bytes long.
 Data: <&#248;<P	d           > F8 3C 50 09 64 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000026409503290, 16 bytes long.
 Data: <&#208;<P	d           > D0 3C 50 09 64 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000026409503880, 16 bytes long.
 Data: <` P	d           > 60 13 50 09 64 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x0000026409501360, 40 bytes long.
 Data: <&#128;8P	d   P P	d   > 80 38 50 09 64 02 00 00 50 10 50 09 64 02 00 00 
{253} normal block at 0x0000026409503650, 16 bytes long.
 Data: <&#176;<P	d           > B0 3C 50 09 64 02 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x0000026409503420, 16 bytes long.
 Data: < <P	d           > 88 3C 50 09 64 02 00 00 00 00 00 00 00 00 00 00 
{251} normal block at 0x00000264094FB790, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{250} normal block at 0x0000026409503740, 16 bytes long.
 Data: <`<P	d           > 60 3C 50 09 64 02 00 00 00 00 00 00 00 00 00 00 
{249} normal block at 0x0000026409503C60, 992 bytes long.
 Data: <@7P	d   &#144;&#183;O	d   > 40 37 50 09 64 02 00 00 90 B7 4F 09 64 02 00 00 
{85} normal block at 0x00000264094FB850, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{84} normal block at 0x00000264094F7140, 16 bytes long.
 Data: <  P	d           > 00 16 50 09 64 02 00 00 00 00 00 00 00 00 00 00 
{83} normal block at 0x0000026409501600, 40 bytes long.
 Data: <@qO	d   P&#184;O	d   > 40 71 4F 09 64 02 00 00 50 B8 4F 09 64 02 00 00 
{62} normal block at 0x00000264094F7640, 16 bytes long.
 Data: <&#128;&#234;&#232;,&#246;           > 80 EA E8 2C F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000264094F75F0, 16 bytes long.
 Data: <@&#233;&#232;,&#246;           > 40 E9 E8 2C F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000264094F7370, 16 bytes long.
 Data: <&#248;W&#229;,&#246;           > F8 57 E5 2C F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x00000264094F75A0, 16 bytes long.
 Data: <&#216;W&#229;,&#246;           > D8 57 E5 2C F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x00000264094F7550, 16 bytes long.
 Data: <P &#229;,&#246;           > 50 04 E5 2C F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x00000264094F74B0, 16 bytes long.
 Data: <0 &#229;,&#246;           > 30 04 E5 2C F6 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x00000264094F7320, 16 bytes long.
 Data: <&#224; &#229;,&#246;           > E0 02 E5 2C F6 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x00000264094F6C40, 16 bytes long.
 Data: <  &#229;,&#246;           > 10 04 E5 2C F6 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x00000264094F68D0, 16 bytes long.
 Data: <p &#229;,&#246;           > 70 04 E5 2C F6 7F 00 00 00 00 00 00 00 00 00 00 
{53} normal block at 0x00000264094F6920, 16 bytes long.
 Data: < &#192;&#227;,&#246;           > 18 C0 E3 2C F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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