Task 38665005

Name test_318-GPUGRID_TEST_ATM_40STEP_20261023-3-40-RND8412_0
Workunit 31608127
Created 25 Oct 2026, 0:29:51 UTC
Sent 25 Oct 2026, 0:33:02 UTC
Report deadline 30 Oct 2026, 0:33:02 UTC
Received 25 Oct 2026, 1:07:20 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 652623
Run time 22 min 43 sec
CPU time 21 min 33 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 36,130.35 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 750.16 MB
Peak swap size 13.00 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
20:45:14 (36392): wrapper (7.9.26016): starting
20:45:14 (36392): 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
20:45:15 (36392): Library/usr/bin/tar.exe exited; CPU time 0.000000
20:45:15 (36392): 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\16\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\16\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
21:07:02 (36392): C:/Windows/system32/cmd.exe exited; CPU time 1293.875000
21:07:02 (36392): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 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: 28597059 bytes.
Dumping objects ->
{3835437} normal block at 0x0000020A0B830FB0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835426} normal block at 0x0000020A0B831090, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835415} normal block at 0x0000020A0B831410, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835404} normal block at 0x0000020A0B831170, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835393} normal block at 0x0000020A09A75A50, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835362} normal block at 0x0000020A0B879280, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
..\api\boinc_api.cpp(309) : {3835349} normal block at 0x0000020A09A71810, 8 bytes long.
 Data: <  &#241;	    > 00 00 F1 09 0A 02 00 00 
{3833965} normal block at 0x0000020A09A719F0, 8 bytes long.
 Data: < &#132;      > 80 84 90 0B 0A 02 00 00 
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x0000020A09A6D4E0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x0000020A09A65E90, 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 0x0000020A09A7A540, 16 bytes long.
 Data: <&#184;&#175;&#167;	            > B8 AF A7 09 0A 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000020A09A7A4A0, 16 bytes long.
 Data: < &#175;&#167;	            > 90 AF A7 09 0A 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000020A09A736E0, 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 0x0000020A09A7A5E0, 16 bytes long.
 Data: <h&#175;&#167;	            > 68 AF A7 09 0A 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000020A09A7A360, 16 bytes long.
 Data: <@&#175;&#167;	            > 40 AF A7 09 0A 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000020A09A7ABD0, 16 bytes long.
 Data: < &#175;&#167;	            > 18 AF A7 09 0A 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000020A09A7A2C0, 16 bytes long.
 Data: <&#240;&#174;&#167;	            > F0 AE A7 09 0A 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000020A09A75B30, 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 0x0000020A09A7A8B0, 16 bytes long.
 Data: <&#168;R&#166;	            > A8 52 A6 09 0A 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000020A09A73C80, 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 0x0000020A09A7AB80, 16 bytes long.
 Data: < R&#166;	            > 80 52 A6 09 0A 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000020A09A7A720, 16 bytes long.
 Data: <XR&#166;	            > 58 52 A6 09 0A 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000020A09A79FA0, 16 bytes long.
 Data: <0R&#166;	            > 30 52 A6 09 0A 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000020A09A79F00, 16 bytes long.
 Data: < R&#166;	            > 08 52 A6 09 0A 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000020A09A7A270, 16 bytes long.
 Data: <&#224;Q&#166;	            > E0 51 A6 09 0A 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000020A09A79CD0, 16 bytes long.
 Data: <&#184;Q&#166;	            > B8 51 A6 09 0A 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000020A09A74220, 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 0x0000020A09A79E60, 16 bytes long.
 Data: < Q&#166;	            > 90 51 A6 09 0A 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000020A09A65190, 320 bytes long.
 Data: <`&#158;&#167;	     B&#167;	    > 60 9E A7 09 0A 02 00 00 20 42 A7 09 0A 02 00 00 
{278} normal block at 0x0000020A09A7A1D0, 16 bytes long.
 Data: <&#208;&#174;&#167;	            > D0 AE A7 09 0A 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000020A09A7A180, 16 bytes long.
 Data: <&#168;&#174;&#167;	            > A8 AE A7 09 0A 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000020A09A73AA0, 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 0x0000020A09A79DC0, 16 bytes long.
 Data: < &#174;&#167;	            > 80 AE A7 09 0A 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000020A09A740A0, 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 0x0000020A09A7A0E0, 16 bytes long.
 Data: <&#200;&#173;&#167;	            > C8 AD A7 09 0A 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000020A09A79EB0, 16 bytes long.
 Data: <&#160;&#173;&#167;	            > A0 AD A7 09 0A 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000020A09A7A860, 16 bytes long.
 Data: <x&#173;&#167;	            > 78 AD A7 09 0A 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000020A09A7AAE0, 16 bytes long.
 Data: <P&#173;&#167;	            > 50 AD A7 09 0A 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000020A09A7AA90, 16 bytes long.
 Data: <(&#173;&#167;	            > 28 AD A7 09 0A 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000020A09A7A9F0, 16 bytes long.
 Data: < &#173;&#167;	            > 00 AD A7 09 0A 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000020A09A7A810, 16 bytes long.
 Data: <&#240;\&#167;	            > F0 5C A7 09 0A 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000020A09A75CF0, 40 bytes long.
 Data: < &#168;&#167;	     &#146;&#135;     > 10 A8 A7 09 0A 02 00 00 80 92 87 0B 0A 02 00 00 
{264} normal block at 0x0000020A09A7A090, 16 bytes long.
 Data: <&#224;&#172;&#167;	            > E0 AC A7 09 0A 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000020A09A7AB30, 16 bytes long.
 Data: <&#184;&#172;&#167;	            > B8 AC A7 09 0A 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000020A09A741C0, 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 0x0000020A09A79F50, 16 bytes long.
 Data: < &#172;&#167;	            > 90 AC A7 09 0A 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000020A09A7AC90, 992 bytes long.
 Data: <P&#159;&#167;	    &#192;A&#167;	    > 50 9F A7 09 0A 02 00 00 C0 41 A7 09 0A 02 00 00 
{96} normal block at 0x0000020A09A73E60, 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 0x0000020A09A719A0, 16 bytes long.
 Data: <&#208;]&#167;	            > D0 5D A7 09 0A 02 00 00 00 00 00 00 00 00 00 00 
{94} normal block at 0x0000020A09A75DD0, 40 bytes long.
 Data: <&#160; &#167;	    `>&#167;	    > A0 19 A7 09 0A 02 00 00 60 3E A7 09 0A 02 00 00 
{73} normal block at 0x0000020A09A71770, 16 bytes long.
 Data: < &#234;&#194;&#249;&#246;           > 80 EA C2 F9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x0000020A09A71B80, 16 bytes long.
 Data: <@&#233;&#194;&#249;&#246;           > 40 E9 C2 F9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000020A09A723A0, 16 bytes long.
 Data: <&#248;W&#191;&#249;&#246;           > F8 57 BF F9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000020A09A72170, 16 bytes long.
 Data: <&#216;W&#191;&#249;&#246;           > D8 57 BF F9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000020A09A71DB0, 16 bytes long.
 Data: <P &#191;&#249;&#246;           > 50 04 BF F9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000020A09A71720, 16 bytes long.
 Data: <0 &#191;&#249;&#246;           > 30 04 BF F9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000020A09A72260, 16 bytes long.
 Data: <&#224; &#191;&#249;&#246;           > E0 02 BF F9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000020A09A717C0, 16 bytes long.
 Data: <  &#191;&#249;&#246;           > 10 04 BF F9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000020A09A71860, 16 bytes long.
 Data: <p &#191;&#249;&#246;           > 70 04 BF F9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000020A09A724E0, 16 bytes long.
 Data: < &#192;&#189;&#249;&#246;           > 18 C0 BD F9 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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