Task 38686773

Name test_480-GPUGRID_TEST_ATM_40STEP_20261023-33-40-RND6492_1
Workunit 31627155
Created 28 Oct 2026, 4:18:53 UTC
Sent 28 Oct 2026, 4:19:00 UTC
Report deadline 2 Nov 2026, 4:19:00 UTC
Received 28 Oct 2026, 7:27:54 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 644440
Run time 59 min 13 sec
CPU time 59 min 13 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 8,090.66 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 742.73 MB
Peak swap size 12.89 GB
Peak disk usage 3.24 GB

Stderr output

<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
02:27:19 (32724): wrapper (7.9.26016): starting
02:27:19 (32724): 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
02:27:20 (32724): Library/usr/bin/tar.exe exited; CPU time 0.000000
02:27:20 (32724): 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\32\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\32\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
03:27:11 (32724): C:/Windows/system32/cmd.exe exited; CPU time 3553.093750
03:27:11 (32724): 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: 97240207 bytes.
Dumping objects ->
{3835512} normal block at 0x000001F989294370, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835501} normal block at 0x000001F9874F7B70, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835490} normal block at 0x000001F9874F7B00, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835479} normal block at 0x000001F9874F7A90, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835468} normal block at 0x000001F9874F7A20, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835437} normal block at 0x000001F98930C750, 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) : {3835424} normal block at 0x000001F9874F1680, 8 bytes long.
 Data: <  &#176;&#135;&#249;   > 00 00 B0 87 F9 01 00 00 
{3833965} normal block at 0x000001F9874F15E0, 8 bytes long.
 Data: < ^6&#137;&#249;   > 20 5E 36 89 F9 01 00 00 
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x000001F9874E8990, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000001F9874E9540, 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 0x000001F9874F7D20, 16 bytes long.
 Data: <h O&#135;&#249;           > 68 8F 4F 87 F9 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001F9874F80E0, 16 bytes long.
 Data: <@ O&#135;&#249;           > 40 8F 4F 87 F9 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001F9874F2C80, 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 0x000001F9874F8950, 16 bytes long.
 Data: <  O&#135;&#249;           > 18 8F 4F 87 F9 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001F9874F81D0, 16 bytes long.
 Data: <&#240;&#142;O&#135;&#249;           > F0 8E 4F 87 F9 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001F9874F8900, 16 bytes long.
 Data: <&#200;&#142;O&#135;&#249;           > C8 8E 4F 87 F9 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001F9874F8720, 16 bytes long.
 Data: <&#160;&#142;O&#135;&#249;           > A0 8E 4F 87 F9 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001F9874F79B0, 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 0x000001F9874F8860, 16 bytes long.
 Data: <8 N&#135;&#249;           > 38 05 4E 87 F9 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001F9874F34C0, 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 0x000001F9874F8220, 16 bytes long.
 Data: <  N&#135;&#249;           > 10 05 4E 87 F9 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001F9874F8630, 16 bytes long.
 Data: <&#232; N&#135;&#249;           > E8 04 4E 87 F9 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001F9874F7E10, 16 bytes long.
 Data: <&#192; N&#135;&#249;           > C0 04 4E 87 F9 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001F9874F7C80, 16 bytes long.
 Data: <  N&#135;&#249;           > 98 04 4E 87 F9 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001F9874F8810, 16 bytes long.
 Data: <p N&#135;&#249;           > 70 04 4E 87 F9 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001F9874F87C0, 16 bytes long.
 Data: <H N&#135;&#249;           > 48 04 4E 87 F9 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001F9874F2E00, 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 0x000001F9874F8310, 16 bytes long.
 Data: <  N&#135;&#249;           > 20 04 4E 87 F9 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001F9874E0420, 320 bytes long.
 Data: < &#131;O&#135;&#249;    .O&#135;&#249;   > 10 83 4F 87 F9 01 00 00 00 2E 4F 87 F9 01 00 00 
{278} normal block at 0x000001F9874F84F0, 16 bytes long.
 Data: < &#142;O&#135;&#249;           > 80 8E 4F 87 F9 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001F9874F7DC0, 16 bytes long.
 Data: <X&#142;O&#135;&#249;           > 58 8E 4F 87 F9 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001F9874F3100, 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 0x000001F9874F82C0, 16 bytes long.
 Data: <0&#142;O&#135;&#249;           > 30 8E 4F 87 F9 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001F9874F3280, 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 0x000001F9874F8040, 16 bytes long.
 Data: <x O&#135;&#249;           > 78 8D 4F 87 F9 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001F9874F88B0, 16 bytes long.
 Data: <P O&#135;&#249;           > 50 8D 4F 87 F9 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001F9874F8360, 16 bytes long.
 Data: <( O&#135;&#249;           > 28 8D 4F 87 F9 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001F9874F7FF0, 16 bytes long.
 Data: <  O&#135;&#249;           > 00 8D 4F 87 F9 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001F9874F8400, 16 bytes long.
 Data: <&#216;&#140;O&#135;&#249;           > D8 8C 4F 87 F9 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001F9874F89F0, 16 bytes long.
 Data: <&#176;&#140;O&#135;&#249;           > B0 8C 4F 87 F9 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001F9874F8270, 16 bytes long.
 Data: <ptO&#135;&#249;           > 70 74 4F 87 F9 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001F9874F7470, 40 bytes long.
 Data: <p&#130;O&#135;&#249;   P&#199;0&#137;&#249;   > 70 82 4F 87 F9 01 00 00 50 C7 30 89 F9 01 00 00 
{264} normal block at 0x000001F9874F84A0, 16 bytes long.
 Data: < &#140;O&#135;&#249;           > 90 8C 4F 87 F9 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001F9874F8BD0, 16 bytes long.
 Data: <h&#140;O&#135;&#249;           > 68 8C 4F 87 F9 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001F9874F2CE0, 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 0x000001F9874F8B80, 16 bytes long.
 Data: <@&#140;O&#135;&#249;           > 40 8C 4F 87 F9 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001F9874F8C40, 992 bytes long.
 Data: < &#139;O&#135;&#249;   &#224;,O&#135;&#249;   > 80 8B 4F 87 F9 01 00 00 E0 2C 4F 87 F9 01 00 00 
{96} normal block at 0x000001F9874F2EC0, 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 0x000001F9874F0FA0, 16 bytes long.
 Data: < &#226;M&#135;&#249;           > 00 E2 4D 87 F9 01 00 00 00 00 00 00 00 00 00 00 
{94} normal block at 0x000001F9874DE200, 40 bytes long.
 Data: <&#160; O&#135;&#249;   &#192;.O&#135;&#249;   > A0 0F 4F 87 F9 01 00 00 C0 2E 4F 87 F9 01 00 00 
{73} normal block at 0x000001F9874F0910, 16 bytes long.
 Data: < &#234;&#253;&#225;&#246;           > 80 EA FD E1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000001F9874F1180, 16 bytes long.
 Data: <@&#233;&#253;&#225;&#246;           > 40 E9 FD E1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001F9874F1040, 16 bytes long.
 Data: <&#248;W&#250;&#225;&#246;           > F8 57 FA E1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001F9874F1400, 16 bytes long.
 Data: <&#216;W&#250;&#225;&#246;           > D8 57 FA E1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001F9874F0D70, 16 bytes long.
 Data: <P &#250;&#225;&#246;           > 50 04 FA E1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001F9874F0DC0, 16 bytes long.
 Data: <0 &#250;&#225;&#246;           > 30 04 FA E1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001F9874F0E60, 16 bytes long.
 Data: <&#224; &#250;&#225;&#246;           > E0 02 FA E1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001F9874F08C0, 16 bytes long.
 Data: <  &#250;&#225;&#246;           > 10 04 FA E1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001F9874F11D0, 16 bytes long.
 Data: <p &#250;&#225;&#246;           > 70 04 FA E1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001F9874F1220, 16 bytes long.
 Data: < &#192;&#248;&#225;&#246;           > 18 C0 F8 E1 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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