Task 38667658

Name test_93-GPUGRID_TEST_ATM_40STEP_20261023-14-40-RND3284_0
Workunit 31610260
Created 25 Oct 2026, 8:52:44 UTC
Sent 25 Oct 2026, 8:52:47 UTC
Report deadline 30 Oct 2026, 8:52:47 UTC
Received 25 Oct 2026, 10:46:08 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 640581
Run time 28 min 28 sec
CPU time 28 min 28 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 44,749.87 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 764.73 MB
Peak swap size 13.03 GB
Peak disk usage 3.02 GB

Stderr output

<core_client_version>8.2.9</core_client_version>
<![CDATA[
<stderr_txt>
11:16:22 (16284): wrapper (7.9.26016): starting
11:16:22 (16284): 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
11:16:23 (16284): Library/usr/bin/tar.exe exited; CPU time 0.000000
11:16:23 (16284): 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\11\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\11\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
11:45:15 (16284): C:/Windows/system32/cmd.exe exited; CPU time 1708.609375
11:45:15 (16284): 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: 27009565 bytes.
Dumping objects ->
{3835259} normal block at 0x000002724594BEF0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835248} normal block at 0x000002724594C6D0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835237} normal block at 0x000002724594C580, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835226} normal block at 0x000002724594BFD0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835215} normal block at 0x0000027245924D20, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835184} normal block at 0x0000027247787C20, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835173} normal block at 0x000002724779E5B0, 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) : {3835170} normal block at 0x000002724591ECC0, 8 bytes long.
 Data: <  &#238;Er   > 00 00 EE 45 72 02 00 00 
{3834557} normal block at 0x000002724779E660, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833961} normal block at 0x000002724591F2B0, 8 bytes long.
 Data: <&#176;&#227;YGr   > B0 E3 59 47 72 02 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x0000027245920C90, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000027245916CB0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{296} normal block at 0x00000272459255E0, 16 bytes long.
 Data: <(h&#146;Er           > 28 68 92 45 72 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000027245925540, 16 bytes long.
 Data: < h&#146;Er           > 00 68 92 45 72 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000002724591FD60, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{293} normal block at 0x0000027245926440, 16 bytes long.
 Data: <&#216;g&#146;Er           > D8 67 92 45 72 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000027245925B30, 16 bytes long.
 Data: <&#176;g&#146;Er           > B0 67 92 45 72 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000027245925770, 16 bytes long.
 Data: < g&#146;Er           > 88 67 92 45 72 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000027245925EA0, 16 bytes long.
 Data: <`g&#146;Er           > 60 67 92 45 72 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000027245924F50, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{288} normal block at 0x00000272459259F0, 16 bytes long.
 Data: <&#232;&#231;&#145;Er           > E8 E7 91 45 72 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000027245920120, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{286} normal block at 0x0000027245925C20, 16 bytes long.
 Data: <&#192;&#231;&#145;Er           > C0 E7 91 45 72 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000027245926260, 16 bytes long.
 Data: < &#231;&#145;Er           > 98 E7 91 45 72 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000027245926490, 16 bytes long.
 Data: <p&#231;&#145;Er           > 70 E7 91 45 72 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000027245926350, 16 bytes long.
 Data: <H&#231;&#145;Er           > 48 E7 91 45 72 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000027245926080, 16 bytes long.
 Data: < &#231;&#145;Er           > 20 E7 91 45 72 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000027245926030, 16 bytes long.
 Data: <&#248;&#230;&#145;Er           > F8 E6 91 45 72 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000272459205A0, 32 bytes long.
 Data: <CUDA_DEVICE=1 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 31 00 50 55 
{278} normal block at 0x0000027245926210, 16 bytes long.
 Data: <&#208;&#230;&#145;Er           > D0 E6 91 45 72 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002724591E6D0, 320 bytes long.
 Data: < b&#146;Er   &#160; &#146;Er   > 10 62 92 45 72 02 00 00 A0 05 92 45 72 02 00 00 
{276} normal block at 0x0000027245925BD0, 16 bytes long.
 Data: <@g&#146;Er           > 40 67 92 45 72 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000027245925FE0, 16 bytes long.
 Data: < g&#146;Er           > 18 67 92 45 72 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000027245920540, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{273} normal block at 0x00000272459260D0, 16 bytes long.
 Data: <&#240;f&#146;Er           > F0 66 92 45 72 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000027245920420, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{271} normal block at 0x0000027245926120, 16 bytes long.
 Data: <8f&#146;Er           > 38 66 92 45 72 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000027245925810, 16 bytes long.
 Data: < f&#146;Er           > 10 66 92 45 72 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000027245925B80, 16 bytes long.
 Data: <&#232;e&#146;Er           > E8 65 92 45 72 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000027245926300, 16 bytes long.
 Data: <&#192;e&#146;Er           > C0 65 92 45 72 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000027245925A90, 16 bytes long.
 Data: < e&#146;Er           > 98 65 92 45 72 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000272459256D0, 16 bytes long.
 Data: <pe&#146;Er           > 70 65 92 45 72 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000027245925F40, 16 bytes long.
 Data: < J&#146;Er           > 80 4A 92 45 72 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000027245924A80, 40 bytes long.
 Data: <@_&#146;Er    |xGr   > 40 5F 92 45 72 02 00 00 20 7C 78 47 72 02 00 00 
{262} normal block at 0x0000027245925DB0, 16 bytes long.
 Data: <Pe&#146;Er           > 50 65 92 45 72 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000027245925AE0, 16 bytes long.
 Data: <(e&#146;Er           > 28 65 92 45 72 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000027245920060, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{259} normal block at 0x0000027245925E50, 16 bytes long.
 Data: < e&#146;Er           > 00 65 92 45 72 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000027245926500, 992 bytes long.
 Data: <P^&#146;Er   ` &#146;Er   > 50 5E 92 45 72 02 00 00 60 00 92 45 72 02 00 00 
{94} normal block at 0x00000272459204E0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{93} normal block at 0x000002724591F4E0, 16 bytes long.
 Data: <0P&#146;Er           > 30 50 92 45 72 02 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x0000027245925030, 40 bytes long.
 Data: <&#224;&#244;&#145;Er   &#224; &#146;Er   > E0 F4 91 45 72 02 00 00 E0 04 92 45 72 02 00 00 
{71} normal block at 0x000002724591F030, 16 bytes long.
 Data: < &#234;ML&#247;           > 80 EA 4D 4C F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002724591F6C0, 16 bytes long.
 Data: <@&#233;ML&#247;           > 40 E9 4D 4C F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002724591F490, 16 bytes long.
 Data: <&#248;WJL&#247;           > F8 57 4A 4C F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002724591F440, 16 bytes long.
 Data: <&#216;WJL&#247;           > D8 57 4A 4C F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002724591F3A0, 16 bytes long.
 Data: <P JL&#247;           > 50 04 4A 4C F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002724591F670, 16 bytes long.
 Data: <0 JL&#247;           > 30 04 4A 4C F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002724591F210, 16 bytes long.
 Data: <&#224; JL&#247;           > E0 02 4A 4C F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002724591EA90, 16 bytes long.
 Data: <  JL&#247;           > 10 04 4A 4C F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002724591EDB0, 16 bytes long.
 Data: <p JL&#247;           > 70 04 4A 4C F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002724591EF90, 16 bytes long.
 Data: < &#192;HL&#247;           > 18 C0 48 4C F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra