Task 38687326

Name test_504-GPUGRID_TEST_ATM_40STEP_20261023-39-40-RND7247_0
Workunit 31628719
Created 28 Oct 2026, 7:10:38 UTC
Sent 28 Oct 2026, 7:10:45 UTC
Report deadline 2 Nov 2026, 7:10:45 UTC
Received 28 Oct 2026, 8:28:55 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 163955
Run time 18 min 56 sec
CPU time 17 min 45 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 31,424.04 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 727.79 MB
Peak swap size 8.43 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
09:10:13 (5568): wrapper (7.9.26016): starting
09:10:13 (5568): 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
09:10:14 (5568): Library/usr/bin/tar.exe exited; CPU time 0.000000
09:10:14 (5568): 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:\PROGRAM1\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:\PROGRAM1\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
09:28:35 (5568): C:/Windows/system32/cmd.exe exited; CPU time 1065.156250
09:28:35 (5568): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 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: 19115301 bytes.
Dumping objects ->
{3835289} normal block at 0x000002BFA90EF770, 48 bytes long.
 Data: <PATH=G:\PROGRAM1> 50 41 54 48 3D 47 3A 5C 50 52 4F 47 52 41 4D 31 
{3835278} normal block at 0x000002BFA90EFFC0, 48 bytes long.
 Data: <HOME=G:\PROGRAM1> 48 4F 4D 45 3D 47 3A 5C 50 52 4F 47 52 41 4D 31 
{3835267} normal block at 0x000002BFA90EFA80, 48 bytes long.
 Data: <TMP=G:\PROGRAM1\> 54 4D 50 3D 47 3A 5C 50 52 4F 47 52 41 4D 31 5C 
{3835256} normal block at 0x000002BFA90EFA10, 48 bytes long.
 Data: <TEMP=G:\PROGRAM1> 54 45 4D 50 3D 47 3A 5C 50 52 4F 47 52 41 4D 31 
{3835245} normal block at 0x000002BFA90EF1C0, 48 bytes long.
 Data: <TMPDIR=G:\PROGRA> 54 4D 50 44 49 52 3D 47 3A 5C 50 52 4F 47 52 41 
{3835214} normal block at 0x000002BFAADC1D00, 64 bytes long.
 Data: <PATH=G:\PROGRAM1> 50 41 54 48 3D 47 3A 5C 50 52 4F 47 52 41 4D 31 
{3835203} normal block at 0x000002BFAAE23220, 102 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) : {3835200} normal block at 0x000002BFA90C1C70, 8 bytes long.
 Data: <   &#169;&#191;   > 00 00 05 A9 BF 02 00 00 
{3834573} normal block at 0x000002BFAAE23590, 102 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 0x000002BFA90C1AE0, 8 bytes long.
 Data: <&#192;&#234; &#169;&#191;   > C0 EA 19 A9 BF 02 00 00 
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x000002BFA90BCA40, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000002BFA90B4AA0, 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 0x000002BFA90CA9C0, 16 bytes long.
 Data: < &#183; &#169;&#191;           > 08 B7 0C A9 BF 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000002BFA90CA790, 16 bytes long.
 Data: <&#224;&#182; &#169;&#191;           > E0 B6 0C A9 BF 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000002BFA90C33C0, 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 0x000002BFA90CB000, 16 bytes long.
 Data: <&#184;&#182; &#169;&#191;           > B8 B6 0C A9 BF 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000002BFA90CAAB0, 16 bytes long.
 Data: < &#182; &#169;&#191;           > 90 B6 0C A9 BF 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002BFA90CB0A0, 16 bytes long.
 Data: <h&#182; &#169;&#191;           > 68 B6 0C A9 BF 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002BFA90CABF0, 16 bytes long.
 Data: <@&#182; &#169;&#191;           > 40 B6 0C A9 BF 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002BFA90C4CA0, 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 0x000002BFA90CAE20, 16 bytes long.
 Data: <8&#238; &#169;&#191;           > 38 EE 0A A9 BF 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002BFA90C3A80, 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 0x000002BFA90CA740, 16 bytes long.
 Data: < &#238; &#169;&#191;           > 10 EE 0A A9 BF 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002BFA90CABA0, 16 bytes long.
 Data: <&#232;&#237; &#169;&#191;           > E8 ED 0A A9 BF 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002BFA90CA920, 16 bytes long.
 Data: <&#192;&#237; &#169;&#191;           > C0 ED 0A A9 BF 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002BFA90CAFB0, 16 bytes long.
 Data: < &#237; &#169;&#191;           > 98 ED 0A A9 BF 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002BFA90CB050, 16 bytes long.
 Data: <p&#237; &#169;&#191;           > 70 ED 0A A9 BF 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002BFA90CAD80, 16 bytes long.
 Data: <H&#237; &#169;&#191;           > 48 ED 0A A9 BF 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002BFA90C3B40, 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 0x000002BFA90CACE0, 16 bytes long.
 Data: < &#237; &#169;&#191;           > 20 ED 0A A9 BF 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002BFA90AED20, 320 bytes long.
 Data: <&#224;&#172; &#169;&#191;   @; &#169;&#191;   > E0 AC 0C A9 BF 02 00 00 40 3B 0C A9 BF 02 00 00 
{278} normal block at 0x000002BFA90CB190, 16 bytes long.
 Data: < &#182; &#169;&#191;           > 20 B6 0C A9 BF 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002BFA90CA6F0, 16 bytes long.
 Data: <&#248;&#181; &#169;&#191;           > F8 B5 0C A9 BF 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002BFA90C3300, 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 0x000002BFA90CA420, 16 bytes long.
 Data: <&#208;&#181; &#169;&#191;           > D0 B5 0C A9 BF 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002BFA90C3960, 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 0x000002BFA90CA4C0, 16 bytes long.
 Data: < &#181; &#169;&#191;           > 18 B5 0C A9 BF 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002BFA90CB230, 16 bytes long.
 Data: <&#240;&#180; &#169;&#191;           > F0 B4 0C A9 BF 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002BFA90CA6A0, 16 bytes long.
 Data: <&#200;&#180; &#169;&#191;           > C8 B4 0C A9 BF 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002BFA90CB320, 16 bytes long.
 Data: <&#160;&#180; &#169;&#191;           > A0 B4 0C A9 BF 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002BFA90CAC90, 16 bytes long.
 Data: <x&#180; &#169;&#191;           > 78 B4 0C A9 BF 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002BFA90CAA60, 16 bytes long.
 Data: <P&#180; &#169;&#191;           > 50 B4 0C A9 BF 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002BFA90CADD0, 16 bytes long.
 Data: <0L &#169;&#191;           > 30 4C 0C A9 BF 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002BFA90C4C30, 40 bytes long.
 Data: <&#208;&#173; &#169;&#191;     &#220;&#170;&#191;   > D0 AD 0C A9 BF 02 00 00 00 1D DC AA BF 02 00 00 
{264} normal block at 0x000002BFA90CA970, 16 bytes long.
 Data: <0&#180; &#169;&#191;           > 30 B4 0C A9 BF 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002BFA90CB140, 16 bytes long.
 Data: < &#180; &#169;&#191;           > 08 B4 0C A9 BF 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002BFA90C3A20, 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 0x000002BFA90CA470, 16 bytes long.
 Data: <&#224;&#179; &#169;&#191;           > E0 B3 0C A9 BF 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000002BFA90CB3E0, 992 bytes long.
 Data: <p&#164; &#169;&#191;    : &#169;&#191;   > 70 A4 0C A9 BF 02 00 00 20 3A 0C A9 BF 02 00 00 
{96} normal block at 0x000002BFA90C3420, 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 0x000002BFA90C1220, 16 bytes long.
 Data: < J &#169;&#191;           > 00 4A 0C A9 BF 02 00 00 00 00 00 00 00 00 00 00 
{94} normal block at 0x000002BFA90C4A00, 40 bytes long.
 Data: <   &#169;&#191;    4 &#169;&#191;   > 20 12 0C A9 BF 02 00 00 20 34 0C A9 BF 02 00 00 
{73} normal block at 0x000002BFA90C1450, 16 bytes long.
 Data: < &#234; 7&#246;           > 80 EA 1A 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000002BFA90C1A40, 16 bytes long.
 Data: <@&#233; 7&#246;           > 40 E9 1A 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000002BFA90C1590, 16 bytes long.
 Data: <&#248;W 7&#246;           > F8 57 17 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002BFA90C1BD0, 16 bytes long.
 Data: <&#216;W 7&#246;           > D8 57 17 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002BFA90C1630, 16 bytes long.
 Data: <P  7&#246;           > 50 04 17 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002BFA90C14A0, 16 bytes long.
 Data: <0  7&#246;           > 30 04 17 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002BFA90C1900, 16 bytes long.
 Data: <&#224;  7&#246;           > E0 02 17 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002BFA90C1A90, 16 bytes long.
 Data: <   7&#246;           > 10 04 17 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002BFA90C11D0, 16 bytes long.
 Data: <p  7&#246;           > 70 04 17 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002BFA90C1310, 16 bytes long.
 Data: < &#192; 7&#246;           > 18 C0 15 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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