Task 38688909

Name test_975-GPUGRID_TEST_ATM_40STEP_20261023-35-40-RND4681_0
Workunit 31630205
Created 28 Oct 2026, 16:55:23 UTC
Sent 28 Oct 2026, 16:55:29 UTC
Report deadline 2 Nov 2026, 16:55:29 UTC
Received 28 Oct 2026, 17:50:24 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 646098
Run time 45 min 59 sec
CPU time 41 min 32 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 21,607.46 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 728.33 MB
Peak swap size 8.47 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
11:05:04 (41948): wrapper (7.9.26016): starting
11:05:04 (41948): 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
11:05:06 (41948): Library/usr/bin/tar.exe exited; CPU time 0.000000
11:05:06 (41948): 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\19\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\19\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
11:49:41 (41948): C:/Windows/system32/cmd.exe exited; CPU time 2492.046875
11:49:41 (41948): 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: 62563419 bytes.
Dumping objects ->
{3835483} normal block at 0x0000027446D3DD20, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835472} normal block at 0x0000027444F86C10, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835461} normal block at 0x0000027444F86BA0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835450} normal block at 0x0000027444F86AC0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835439} normal block at 0x0000027444F86F20, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835408} normal block at 0x0000027446D8CB10, 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) : {3835395} normal block at 0x0000027444F80EF0, 8 bytes long.
 Data: <  PEt   > 00 00 50 45 74 02 00 00 
{3833957} normal block at 0x0000027444F80CC0, 8 bytes long.
 Data: <&#208;&#241;&#217;Ft   > D0 F1 D9 46 74 02 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x0000027444F76240, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000027444F77180, 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 0x0000027444F877D0, 16 bytes long.
 Data: < &#131;&#248;Dt           > 88 83 F8 44 74 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000027444F87690, 16 bytes long.
 Data: <`&#131;&#248;Dt           > 60 83 F8 44 74 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000027444F7FB30, 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 0x0000027444F87640, 16 bytes long.
 Data: <8&#131;&#248;Dt           > 38 83 F8 44 74 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000027444F87370, 16 bytes long.
 Data: < &#131;&#248;Dt           > 10 83 F8 44 74 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000027444F87320, 16 bytes long.
 Data: <&#232;&#130;&#248;Dt           > E8 82 F8 44 74 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000027444F87730, 16 bytes long.
 Data: <&#192;&#130;&#248;Dt           > C0 82 F8 44 74 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000027444F86CF0, 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 0x0000027444F87E60, 16 bytes long.
 Data: < &#185;&#246;Dt           > 08 B9 F6 44 74 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000027444F80730, 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 0x0000027444F879B0, 16 bytes long.
 Data: <&#224;&#184;&#246;Dt           > E0 B8 F6 44 74 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000027444F87F00, 16 bytes long.
 Data: <&#184;&#184;&#246;Dt           > B8 B8 F6 44 74 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000027444F87460, 16 bytes long.
 Data: < &#184;&#246;Dt           > 90 B8 F6 44 74 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000027444F87780, 16 bytes long.
 Data: <h&#184;&#246;Dt           > 68 B8 F6 44 74 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000027444F87500, 16 bytes long.
 Data: <@&#184;&#246;Dt           > 40 B8 F6 44 74 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000027444F874B0, 16 bytes long.
 Data: < &#184;&#246;Dt           > 18 B8 F6 44 74 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000027444F804F0, 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 0x0000027444F87190, 16 bytes long.
 Data: <&#240;&#183;&#246;Dt           > F0 B7 F6 44 74 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000027444F6B7F0, 320 bytes long.
 Data: < q&#248;Dt   &#240; &#248;Dt   > 90 71 F8 44 74 02 00 00 F0 04 F8 44 74 02 00 00 
{274} normal block at 0x0000027444F87280, 16 bytes long.
 Data: <&#160;&#130;&#248;Dt           > A0 82 F8 44 74 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000027444F876E0, 16 bytes long.
 Data: <x&#130;&#248;Dt           > 78 82 F8 44 74 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000027444F7FE30, 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 0x0000027444F87F50, 16 bytes long.
 Data: <P&#130;&#248;Dt           > 50 82 F8 44 74 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000027444F80250, 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 0x0000027444F873C0, 16 bytes long.
 Data: <  &#248;Dt           > 98 81 F8 44 74 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000027444F87140, 16 bytes long.
 Data: <p &#248;Dt           > 70 81 F8 44 74 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000027444F87C80, 16 bytes long.
 Data: <H &#248;Dt           > 48 81 F8 44 74 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000027444F875F0, 16 bytes long.
 Data: <  &#248;Dt           > 20 81 F8 44 74 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000027444F872D0, 16 bytes long.
 Data: <&#248; &#248;Dt           > F8 80 F8 44 74 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000027444F875A0, 16 bytes long.
 Data: <&#208; &#248;Dt           > D0 80 F8 44 74 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000027444F87230, 16 bytes long.
 Data: < h&#248;Dt           > 90 68 F8 44 74 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000027444F86890, 40 bytes long.
 Data: <0r&#248;Dt    &#203;&#216;Ft   > 30 72 F8 44 74 02 00 00 10 CB D8 46 74 02 00 00 
{260} normal block at 0x0000027444F871E0, 16 bytes long.
 Data: <&#176; &#248;Dt           > B0 80 F8 44 74 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000027444F87550, 16 bytes long.
 Data: <  &#248;Dt           > 88 80 F8 44 74 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000027444F801F0, 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 0x0000027444F87410, 16 bytes long.
 Data: <` &#248;Dt           > 60 80 F8 44 74 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000027444F88060, 992 bytes long.
 Data: < t&#248;Dt   &#240; &#248;Dt   > 10 74 F8 44 74 02 00 00 F0 01 F8 44 74 02 00 00 
{92} normal block at 0x0000027444F80610, 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 0x0000027444F80C20, 16 bytes long.
 Data: < &#233;&#246;Dt           > 90 E9 F6 44 74 02 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x0000027444F6E990, 40 bytes long.
 Data: <  &#248;Dt     &#248;Dt   > 20 0C F8 44 74 02 00 00 10 06 F8 44 74 02 00 00 
{69} normal block at 0x0000027444F809F0, 16 bytes long.
 Data: < &#234;&#173;`&#246;           > 80 EA AD 60 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000027444F81030, 16 bytes long.
 Data: <@&#233;&#173;`&#246;           > 40 E9 AD 60 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000027444F81710, 16 bytes long.
 Data: <&#248;W&#170;`&#246;           > F8 57 AA 60 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000027444F81620, 16 bytes long.
 Data: <&#216;W&#170;`&#246;           > D8 57 AA 60 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000027444F80E50, 16 bytes long.
 Data: <P &#170;`&#246;           > 50 04 AA 60 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000027444F80BD0, 16 bytes long.
 Data: <0 &#170;`&#246;           > 30 04 AA 60 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000027444F81760, 16 bytes long.
 Data: <&#224; &#170;`&#246;           > E0 02 AA 60 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000027444F81670, 16 bytes long.
 Data: <  &#170;`&#246;           > 10 04 AA 60 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000027444F816C0, 16 bytes long.
 Data: <p &#170;`&#246;           > 70 04 AA 60 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000027444F81530, 16 bytes long.
 Data: < &#192;&#168;`&#246;           > 18 C0 A8 60 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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