Task 38662064

Name test_653-GPUGRID_TEST_ATM_40STEP_20261023-7-40-RND7713_1
Workunit 31604868
Created 24 Oct 2026, 17:15:50 UTC
Sent 24 Oct 2026, 17:35:58 UTC
Report deadline 29 Oct 2026, 17:35:58 UTC
Received 24 Oct 2026, 19:37:08 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 494803
Run time 35 min 4 sec
CPU time 29 min 47 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 12,067.36 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 668.65 MB
Peak swap size 3.80 GB
Peak disk usage 3.02 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
19:56:09 (12540): wrapper (7.9.26016): starting
19:56:09 (12540): 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
19:56:11 (12540): Library/usr/bin/tar.exe exited; CPU time 0.000000
19:56:11 (12540): 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:\BOINC\slots\1\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:\BOINC\slots\1\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
20:30:04 (12540): C:/Windows/system32/cmd.exe exited; CPU time 1787.328125
20:30:04 (12540): called boinc_finish(0)
0 bytes in 0 Free Blocks.
176 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: 33521807 bytes.
Dumping objects ->
{3835522} normal block at 0x000001F359D675A0, 48 bytes long.
 Data: <PATH=E:\BOINC\sl> 50 41 54 48 3D 45 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835511} normal block at 0x000001F35BA65270, 32 bytes long.
 Data: <HOME=E:\BOINC\sl> 48 4F 4D 45 3D 45 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835500} normal block at 0x000001F35BA64D30, 32 bytes long.
 Data: <TMP=E:\BOINC\slo> 54 4D 50 3D 45 3A 5C 42 4F 49 4E 43 5C 73 6C 6F 
{3835489} normal block at 0x000001F35BA644F0, 32 bytes long.
 Data: <TEMP=E:\BOINC\sl> 54 45 4D 50 3D 45 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835478} normal block at 0x000001F35BA642B0, 32 bytes long.
 Data: <TMPDIR=E:\BOINC\> 54 4D 50 44 49 52 3D 45 3A 5C 42 4F 49 4E 43 5C 
{3835447} normal block at 0x000001F359D67610, 48 bytes long.
 Data: <PATH=E:\BOINC\sl> 50 41 54 48 3D 45 3A 5C 42 4F 49 4E 43 5C 73 6C 
..\api\boinc_api.cpp(309) : {3835434} normal block at 0x000001F359D37D30, 8 bytes long.
 Data: <  t[&#243;   > 00 00 74 5B F3 01 00 00 
{3833955} normal block at 0x000001F359D37C40, 8 bytes long.
 Data: <&#224;&#233;&#225;Y&#243;   > E0 E9 E1 59 F3 01 00 00 
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x000001F359D42940, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001F359D2D930, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{293} normal block at 0x000001F359D43A20, 16 bytes long.
 Data: <8J&#212;Y&#243;           > 38 4A D4 59 F3 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001F359D44060, 16 bytes long.
 Data: < J&#212;Y&#243;           > 10 4A D4 59 F3 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001F359D3CE40, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{290} normal block at 0x000001F359D44330, 16 bytes long.
 Data: <&#232;I&#212;Y&#243;           > E8 49 D4 59 F3 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001F359D444C0, 16 bytes long.
 Data: <&#192;I&#212;Y&#243;           > C0 49 D4 59 F3 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001F359D44290, 16 bytes long.
 Data: < I&#212;Y&#243;           > 98 49 D4 59 F3 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001F359D44150, 16 bytes long.
 Data: <pI&#212;Y&#243;           > 70 49 D4 59 F3 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001F359D3E520, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{285} normal block at 0x000001F359D43980, 16 bytes long.
 Data: <&#216;^&#210;Y&#243;           > D8 5E D2 59 F3 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001F359D3CF60, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{283} normal block at 0x000001F359D439D0, 16 bytes long.
 Data: <&#176;^&#210;Y&#243;           > B0 5E D2 59 F3 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001F359D43A70, 16 bytes long.
 Data: < ^&#210;Y&#243;           > 88 5E D2 59 F3 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001F359D43B60, 16 bytes long.
 Data: <`^&#210;Y&#243;           > 60 5E D2 59 F3 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001F359D43930, 16 bytes long.
 Data: <8^&#210;Y&#243;           > 38 5E D2 59 F3 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001F359D43E80, 16 bytes long.
 Data: < ^&#210;Y&#243;           > 10 5E D2 59 F3 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001F359D438E0, 16 bytes long.
 Data: <&#232;]&#210;Y&#243;           > E8 5D D2 59 F3 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001F359D3D020, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{275} normal block at 0x000001F359D43D90, 16 bytes long.
 Data: <&#192;]&#210;Y&#243;           > C0 5D D2 59 F3 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001F359D25DC0, 320 bytes long.
 Data: < =&#212;Y&#243;    &#208;&#211;Y&#243;   > 90 3D D4 59 F3 01 00 00 20 D0 D3 59 F3 01 00 00 
{273} normal block at 0x000001F359D43ED0, 16 bytes long.
 Data: <PI&#212;Y&#243;           > 50 49 D4 59 F3 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001F359D43D40, 16 bytes long.
 Data: <(I&#212;Y&#243;           > 28 49 D4 59 F3 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001F359D3C6C0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{270} normal block at 0x000001F359D44600, 16 bytes long.
 Data: < I&#212;Y&#243;           > 00 49 D4 59 F3 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001F359D3CEA0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{268} normal block at 0x000001F359D445B0, 16 bytes long.
 Data: <HH&#212;Y&#243;           > 48 48 D4 59 F3 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001F359D43890, 16 bytes long.
 Data: < H&#212;Y&#243;           > 20 48 D4 59 F3 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001F359D44560, 16 bytes long.
 Data: <&#248;G&#212;Y&#243;           > F8 47 D4 59 F3 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001F359D437F0, 16 bytes long.
 Data: <&#208;G&#212;Y&#243;           > D0 47 D4 59 F3 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001F359D43E30, 16 bytes long.
 Data: <&#168;G&#212;Y&#243;           > A8 47 D4 59 F3 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001F359D43B10, 16 bytes long.
 Data: < G&#212;Y&#243;           > 80 47 D4 59 F3 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001F359D44510, 16 bytes long.
 Data: < &#230;&#211;Y&#243;           > 00 E6 D3 59 F3 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001F359D3E600, 40 bytes long.
 Data: < E&#212;Y&#243;    v&#214;Y&#243;   > 10 45 D4 59 F3 01 00 00 10 76 D6 59 F3 01 00 00 
{259} normal block at 0x000001F359D44100, 16 bytes long.
 Data: <`G&#212;Y&#243;           > 60 47 D4 59 F3 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001F359D43CA0, 16 bytes long.
 Data: <8G&#212;Y&#243;           > 38 47 D4 59 F3 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001F359D3CBA0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{256} normal block at 0x000001F359D442E0, 16 bytes long.
 Data: < G&#212;Y&#243;           > 10 47 D4 59 F3 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000001F359D44710, 992 bytes long.
 Data: <&#224;B&#212;Y&#243;   &#160;&#203;&#211;Y&#243;   > E0 42 D4 59 F3 01 00 00 A0 CB D3 59 F3 01 00 00 
{91} normal block at 0x000001F359D3CC60, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{90} normal block at 0x000001F359D37B50, 16 bytes long.
 Data: <&#192;&#224;&#211;Y&#243;           > C0 E0 D3 59 F3 01 00 00 00 00 00 00 00 00 00 00 
{89} normal block at 0x000001F359D3E0C0, 40 bytes long.
 Data: <P{&#211;Y&#243;   `&#204;&#211;Y&#243;   > 50 7B D3 59 F3 01 00 00 60 CC D3 59 F3 01 00 00 
{68} normal block at 0x000001F359D38230, 16 bytes long.
 Data: < &#234; &#225;&#246;           > 80 EA 0D E1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001F359D38190, 16 bytes long.
 Data: <@&#233; &#225;&#246;           > 40 E9 0D E1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001F359D37C90, 16 bytes long.
 Data: <&#248;W &#225;&#246;           > F8 57 0A E1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001F359D37BF0, 16 bytes long.
 Data: <&#216;W &#225;&#246;           > D8 57 0A E1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001F359D38140, 16 bytes long.
 Data: <P  &#225;&#246;           > 50 04 0A E1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001F359D384B0, 16 bytes long.
 Data: <0  &#225;&#246;           > 30 04 0A E1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001F359D381E0, 16 bytes long.
 Data: <&#224;  &#225;&#246;           > E0 02 0A E1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001F359D383C0, 16 bytes long.
 Data: <   &#225;&#246;           > 10 04 0A E1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001F359D37650, 16 bytes long.
 Data: <p  &#225;&#246;           > 70 04 0A E1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001F359D37CE0, 16 bytes long.
 Data: < &#192; &#225;&#246;           > 18 C0 08 E1 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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