Task 38679304

Name test_605-GPUGRID_TEST_ATM_40STEP_20261023-19-40-RND7567_0
Workunit 31621083
Created 26 Oct 2026, 20:07:47 UTC
Sent 26 Oct 2026, 20:07:50 UTC
Report deadline 31 Oct 2026, 20:07:50 UTC
Received 26 Oct 2026, 20:27:25 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654879
Run time 17 min 3 sec
CPU time 16 min 4 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 84,053.55 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 740.90 MB
Peak swap size 13.15 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
21:10:22 (30940): wrapper (7.9.26016): starting
21:10:22 (30940): 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
21:10:23 (30940): Library/usr/bin/tar.exe exited; CPU time 0.000000
21:10:23 (30940): 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\3\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\3\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
21:26:45 (30940): C:/Windows/system32/cmd.exe exited; CPU time 964.968750
21:26:45 (30940): 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: 16337659 bytes.
Dumping objects ->
{3835018} normal block at 0x0000022CD4F3CCE0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835007} normal block at 0x0000022CD4F3C810, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3834996} normal block at 0x0000022CD4F3C7A0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3834985} normal block at 0x0000022CD4F3CA40, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3834974} normal block at 0x0000022CD31A4860, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3834943} normal block at 0x0000022CD4F8A950, 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) : {3834930} normal block at 0x0000022CD319DD00, 8 bytes long.
 Data: <  &#231;&#212;,   > 00 00 E7 D4 2C 02 00 00 
{3833961} normal block at 0x0000022CD319DDF0, 8 bytes long.
 Data: <&#208;8&#254;&#212;,   > D0 38 FE D4 2C 02 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x0000022CD31A12F0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000022CD3196080, 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 0x0000022CD31A56E0, 16 bytes long.
 Data: < e &#211;,           > 18 65 1A D3 2C 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000022CD31A58C0, 16 bytes long.
 Data: <&#240;d &#211;,           > F0 64 1A D3 2C 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000022CD319ED20, 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 0x0000022CD31A5690, 16 bytes long.
 Data: <&#200;d &#211;,           > C8 64 1A D3 2C 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000022CD31A5640, 16 bytes long.
 Data: <&#160;d &#211;,           > A0 64 1A D3 2C 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000022CD31A5BE0, 16 bytes long.
 Data: <xd &#211;,           > 78 64 1A D3 2C 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000022CD31A6090, 16 bytes long.
 Data: <Pd &#211;,           > 50 64 1A D3 2C 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000022CD31A49B0, 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 0x0000022CD31A5F50, 16 bytes long.
 Data: <X&#139; &#211;,           > 58 8B 19 D3 2C 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000022CD319F7A0, 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 0x0000022CD31A5EB0, 16 bytes long.
 Data: <0&#139; &#211;,           > 30 8B 19 D3 2C 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000022CD31A55F0, 16 bytes long.
 Data: < &#139; &#211;,           > 08 8B 19 D3 2C 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000022CD31A5500, 16 bytes long.
 Data: <&#224;&#138; &#211;,           > E0 8A 19 D3 2C 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000022CD31A5960, 16 bytes long.
 Data: <&#184;&#138; &#211;,           > B8 8A 19 D3 2C 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000022CD31A5410, 16 bytes long.
 Data: < &#138; &#211;,           > 90 8A 19 D3 2C 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000022CD31A5A50, 16 bytes long.
 Data: <h&#138; &#211;,           > 68 8A 19 D3 2C 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000022CD319EA80, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{278} normal block at 0x0000022CD31A5AF0, 16 bytes long.
 Data: <@&#138; &#211;,           > 40 8A 19 D3 2C 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000022CD3198A40, 320 bytes long.
 Data: <&#240;Z &#211;,    &#234; &#211;,   > F0 5A 1A D3 2C 02 00 00 80 EA 19 D3 2C 02 00 00 
{276} normal block at 0x0000022CD31A54B0, 16 bytes long.
 Data: <0d &#211;,           > 30 64 1A D3 2C 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000022CD31A5280, 16 bytes long.
 Data: < d &#211;,           > 08 64 1A D3 2C 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000022CD319EBA0, 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 0x0000022CD31A53C0, 16 bytes long.
 Data: <&#224;c &#211;,           > E0 63 1A D3 2C 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000022CD319EA20, 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 0x0000022CD31A5D20, 16 bytes long.
 Data: <(c &#211;,           > 28 63 1A D3 2C 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000022CD31A5DC0, 16 bytes long.
 Data: < c &#211;,           > 00 63 1A D3 2C 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000022CD31A5370, 16 bytes long.
 Data: <&#216;b &#211;,           > D8 62 1A D3 2C 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000022CD31A5230, 16 bytes long.
 Data: <&#176;b &#211;,           > B0 62 1A D3 2C 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000022CD31A5320, 16 bytes long.
 Data: < b &#211;,           > 88 62 1A D3 2C 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000022CD31A5550, 16 bytes long.
 Data: <`b &#211;,           > 60 62 1A D3 2C 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000022CD31A5910, 16 bytes long.
 Data: < J &#211;,           > 20 4A 1A D3 2C 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000022CD31A4A20, 40 bytes long.
 Data: < Y &#211;,   P&#169;&#248;&#212;,   > 10 59 1A D3 2C 02 00 00 50 A9 F8 D4 2C 02 00 00 
{262} normal block at 0x0000022CD31A52D0, 16 bytes long.
 Data: <@b &#211;,           > 40 62 1A D3 2C 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000022CD31A55A0, 16 bytes long.
 Data: < b &#211;,           > 18 62 1A D3 2C 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000022CD319EFC0, 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 0x0000022CD31A5460, 16 bytes long.
 Data: <&#240;a &#211;,           > F0 61 1A D3 2C 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000022CD31A61F0, 992 bytes long.
 Data: <`T &#211;,   &#192;&#239; &#211;,   > 60 54 1A D3 2C 02 00 00 C0 EF 19 D3 2C 02 00 00 
{94} normal block at 0x0000022CD319F5C0, 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 0x0000022CD319D1C0, 16 bytes long.
 Data: <0F &#211;,           > 30 46 1A D3 2C 02 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x0000022CD31A4630, 40 bytes long.
 Data: <&#192;&#209; &#211;,   &#192;&#245; &#211;,   > C0 D1 19 D3 2C 02 00 00 C0 F5 19 D3 2C 02 00 00 
{71} normal block at 0x0000022CD319D4E0, 16 bytes long.
 Data: < &#234;&#159;7&#247;           > 80 EA 9F 37 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000022CD319D030, 16 bytes long.
 Data: <@&#233;&#159;7&#247;           > 40 E9 9F 37 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000022CD319D3F0, 16 bytes long.
 Data: <&#248;W&#156;7&#247;           > F8 57 9C 37 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000022CD319D3A0, 16 bytes long.
 Data: <&#216;W&#156;7&#247;           > D8 57 9C 37 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000022CD319D580, 16 bytes long.
 Data: <P &#156;7&#247;           > 50 04 9C 37 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000022CD319D170, 16 bytes long.
 Data: <0 &#156;7&#247;           > 30 04 9C 37 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000022CD319CFE0, 16 bytes long.
 Data: <&#224; &#156;7&#247;           > E0 02 9C 37 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000022CD319D120, 16 bytes long.
 Data: <  &#156;7&#247;           > 10 04 9C 37 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000022CD319D800, 16 bytes long.
 Data: <p &#156;7&#247;           > 70 04 9C 37 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000022CD319D8F0, 16 bytes long.
 Data: < &#192;&#154;7&#247;           > 18 C0 9A 37 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra