Task 38675704

Name test_544-GPUGRID_TEST_ATM_40STEP_20261023-12-40-RND2259_1
Workunit 31617651
Created 26 Oct 2026, 9:03:50 UTC
Sent 26 Oct 2026, 9:04:00 UTC
Report deadline 31 Oct 2026, 9:04:00 UTC
Received 26 Oct 2026, 11:38:18 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 632099
Run time 24 min 39 sec
CPU time 24 min 30 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 30,032.43 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 728.14 MB
Peak swap size 12.96 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
12:13:46 (12184): wrapper (7.9.26016): starting
12:13:46 (12184): 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
12:13:47 (12184): Library/usr/bin/tar.exe exited; CPU time 0.000000
12:13:47 (12184): 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\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 'C:\ProgramData\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
12:37:38 (12184): C:/Windows/system32/cmd.exe exited; CPU time 1470.953125
12:37:38 (12184): 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: 20542903 bytes.
Dumping objects ->
{3835270} normal block at 0x000002BF175B72A0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835259} normal block at 0x000002BF175B7540, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835248} normal block at 0x000002BF175B7A10, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835237} normal block at 0x000002BF175B7230, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835226} normal block at 0x000002BF175B6F20, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835195} normal block at 0x000002BF1913CF50, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835184} normal block at 0x000002BF175F8140, 160 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) : {3835181} normal block at 0x000002BF17588320, 8 bytes long.
 Data: <  &#225; &#191;   > 00 00 E1 18 BF 02 00 00 
{3834569} normal block at 0x000002BF175F83E0, 160 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833957} normal block at 0x000002BF175888C0, 8 bytes long.
 Data: <&#208;&#204;f &#191;   > D0 CC 66 17 BF 02 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x000002BF17592950, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002BF17575D80, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{294} normal block at 0x000002BF175945C0, 16 bytes long.
 Data: <HJY &#191;           > 48 4A 59 17 BF 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002BF17593E90, 16 bytes long.
 Data: < JY &#191;           > 20 4A 59 17 BF 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002BF1758ED30, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{291} normal block at 0x000002BF17593CB0, 16 bytes long.
 Data: <&#248;IY &#191;           > F8 49 59 17 BF 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002BF17594520, 16 bytes long.
 Data: <&#208;IY &#191;           > D0 49 59 17 BF 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002BF175944D0, 16 bytes long.
 Data: <&#168;IY &#191;           > A8 49 59 17 BF 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002BF175942A0, 16 bytes long.
 Data: < IY &#191;           > 80 49 59 17 BF 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002BF1758CCA0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{286} normal block at 0x000002BF17594160, 16 bytes long.
 Data: < ]W &#191;           > 18 5D 57 17 BF 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002BF1758EC10, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{284} normal block at 0x000002BF17594430, 16 bytes long.
 Data: <&#240;\W &#191;           > F0 5C 57 17 BF 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002BF17593A80, 16 bytes long.
 Data: <&#200;\W &#191;           > C8 5C 57 17 BF 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002BF17594200, 16 bytes long.
 Data: <&#160;\W &#191;           > A0 5C 57 17 BF 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002BF17594570, 16 bytes long.
 Data: <x\W &#191;           > 78 5C 57 17 BF 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002BF175943E0, 16 bytes long.
 Data: <P\W &#191;           > 50 5C 57 17 BF 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002BF17593990, 16 bytes long.
 Data: <(\W &#191;           > 28 5C 57 17 BF 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002BF1758ECD0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{276} normal block at 0x000002BF17593F30, 16 bytes long.
 Data: < \W &#191;           > 00 5C 57 17 BF 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002BF17575C00, 320 bytes long.
 Data: <0?Y &#191;   &#208;&#236;X &#191;   > 30 3F 59 17 BF 02 00 00 D0 EC 58 17 BF 02 00 00 
{274} normal block at 0x000002BF175939E0, 16 bytes long.
 Data: <`IY &#191;           > 60 49 59 17 BF 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002BF17594390, 16 bytes long.
 Data: <8IY &#191;           > 38 49 59 17 BF 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002BF1758EC70, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{271} normal block at 0x000002BF17593DA0, 16 bytes long.
 Data: < IY &#191;           > 10 49 59 17 BF 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002BF1758E850, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{269} normal block at 0x000002BF17594660, 16 bytes long.
 Data: <XHY &#191;           > 58 48 59 17 BF 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002BF17593DF0, 16 bytes long.
 Data: <0HY &#191;           > 30 48 59 17 BF 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002BF175938A0, 16 bytes long.
 Data: < HY &#191;           > 08 48 59 17 BF 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002BF17594070, 16 bytes long.
 Data: <&#224;GY &#191;           > E0 47 59 17 BF 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002BF17594340, 16 bytes long.
 Data: <&#184;GY &#191;           > B8 47 59 17 BF 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002BF17594020, 16 bytes long.
 Data: < GY &#191;           > 90 47 59 17 BF 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002BF17593F80, 16 bytes long.
 Data: <0&#204;X &#191;           > 30 CC 58 17 BF 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002BF1758CC30, 40 bytes long.
 Data: < ?Y &#191;   P&#207;  &#191;   > 80 3F 59 17 BF 02 00 00 50 CF 13 19 BF 02 00 00 
{260} normal block at 0x000002BF17593FD0, 16 bytes long.
 Data: <pGY &#191;           > 70 47 59 17 BF 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000002BF175941B0, 16 bytes long.
 Data: <HGY &#191;           > 48 47 59 17 BF 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000002BF1758E310, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{257} normal block at 0x000002BF17594480, 16 bytes long.
 Data: < GY &#191;           > 20 47 59 17 BF 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000002BF17594720, 992 bytes long.
 Data: < DY &#191;    &#227;X &#191;   > 80 44 59 17 BF 02 00 00 10 E3 58 17 BF 02 00 00 
{92} normal block at 0x000002BF1758E3D0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{91} normal block at 0x000002BF17588640, 16 bytes long.
 Data: < &#208;X &#191;           > 90 D0 58 17 BF 02 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x000002BF1758D090, 40 bytes long.
 Data: <@&#134;X &#191;   &#208;&#227;X &#191;   > 40 86 58 17 BF 02 00 00 D0 E3 58 17 BF 02 00 00 
{69} normal block at 0x000002BF17588190, 16 bytes long.
 Data: < &#234;&#171;&#191;&#246;           > 80 EA AB BF F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002BF17588140, 16 bytes long.
 Data: <@&#233;&#171;&#191;&#246;           > 40 E9 AB BF F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002BF17588410, 16 bytes long.
 Data: <&#248;W&#168;&#191;&#246;           > F8 57 A8 BF F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002BF17588B90, 16 bytes long.
 Data: <&#216;W&#168;&#191;&#246;           > D8 57 A8 BF F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002BF17587D30, 16 bytes long.
 Data: <P &#168;&#191;&#246;           > 50 04 A8 BF F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002BF17588280, 16 bytes long.
 Data: <0 &#168;&#191;&#246;           > 30 04 A8 BF F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002BF17587F60, 16 bytes long.
 Data: <&#224; &#168;&#191;&#246;           > E0 02 A8 BF F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002BF175885F0, 16 bytes long.
 Data: <  &#168;&#191;&#246;           > 10 04 A8 BF F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002BF17587FB0, 16 bytes long.
 Data: <p &#168;&#191;&#246;           > 70 04 A8 BF F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000002BF17587F10, 16 bytes long.
 Data: < &#192;&#166;&#191;&#246;           > 18 C0 A6 BF F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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