Task 38655617

Name test_724-GPUGRID_TEST_ATM_40STEP_20261023-3-40-RND8511_0
Workunit 31599370
Created 24 Oct 2026, 9:45:23 UTC
Sent 24 Oct 2026, 9:45:25 UTC
Report deadline 29 Oct 2026, 9:45:25 UTC
Received 24 Oct 2026, 10:25:28 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 646373
Run time 31 min 35 sec
CPU time 28 min 55 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 16,200.74 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 711.67 MB
Peak swap size 6.89 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
05:53:49 (22020): wrapper (7.9.26016): starting
05:53:49 (22020): 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
05:53:50 (22020): Library/usr/bin/tar.exe exited; CPU time 0.000000
05:53:50 (22020): 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\0\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\0\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
06:24:59 (22020): C:/Windows/system32/cmd.exe exited; CPU time 1735.531250
06:24:59 (22020): 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: 28066175 bytes.
Dumping objects ->
{3835514} normal block at 0x0000024919F54870, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835503} normal block at 0x0000024919F54800, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835492} normal block at 0x0000024919F54790, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835481} normal block at 0x0000024919F54640, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835470} normal block at 0x0000024919F54410, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835439} normal block at 0x000002491BBB7340, 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) : {3835426} normal block at 0x0000024919F4E960, 8 bytes long.
 Data: <  4 I   > 00 00 34 1A 49 02 00 00 
{3833959} normal block at 0x0000024919F4E780, 8 bytes long.
 Data: < F&#193; I   > 20 46 C1 1B 49 02 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x0000024919F50480, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000024919F46320, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{295} normal block at 0x0000024919F556B0, 16 bytes long.
 Data: <Hd&#245; I           > 48 64 F5 19 49 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000024919F55CA0, 16 bytes long.
 Data: < d&#245; I           > 20 64 F5 19 49 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000024919F4FB30, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{292} normal block at 0x0000024919F55C50, 16 bytes long.
 Data: <&#248;c&#245; I           > F8 63 F5 19 49 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000024919F55C00, 16 bytes long.
 Data: <&#208;c&#245; I           > D0 63 F5 19 49 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000024919F55660, 16 bytes long.
 Data: <&#168;c&#245; I           > A8 63 F5 19 49 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000024919F55F20, 16 bytes long.
 Data: < c&#245; I           > 80 63 F5 19 49 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000024919F544F0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{287} normal block at 0x0000024919F55BB0, 16 bytes long.
 Data: <&#200; &#244; I           > C8 8D F4 19 49 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000024919F4FFB0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{285} normal block at 0x0000024919F555C0, 16 bytes long.
 Data: <&#160; &#244; I           > A0 8D F4 19 49 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000024919F55B60, 16 bytes long.
 Data: <x &#244; I           > 78 8D F4 19 49 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000024919F55200, 16 bytes long.
 Data: <P &#244; I           > 50 8D F4 19 49 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000024919F55750, 16 bytes long.
 Data: <( &#244; I           > 28 8D F4 19 49 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000024919F55480, 16 bytes long.
 Data: <  &#244; I           > 00 8D F4 19 49 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000024919F55AC0, 16 bytes long.
 Data: <&#216;&#140;&#244; I           > D8 8C F4 19 49 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000024919F500D0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{277} normal block at 0x0000024919F554D0, 16 bytes long.
 Data: <&#176;&#140;&#244; I           > B0 8C F4 19 49 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000024919F48CB0, 320 bytes long.
 Data: <&#208;T&#245; I   &#208; &#245; I   > D0 54 F5 19 49 02 00 00 D0 00 F5 19 49 02 00 00 
{275} normal block at 0x0000024919F55570, 16 bytes long.
 Data: <`c&#245; I           > 60 63 F5 19 49 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000024919F55ED0, 16 bytes long.
 Data: <8c&#245; I           > 38 63 F5 19 49 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000024919F4FA70, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{272} normal block at 0x0000024919F55610, 16 bytes long.
 Data: < c&#245; I           > 10 63 F5 19 49 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000024919F4F530, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{270} normal block at 0x0000024919F55CF0, 16 bytes long.
 Data: <Xb&#245; I           > 58 62 F5 19 49 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000024919F55250, 16 bytes long.
 Data: <0b&#245; I           > 30 62 F5 19 49 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000024919F55520, 16 bytes long.
 Data: < b&#245; I           > 08 62 F5 19 49 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000024919F55160, 16 bytes long.
 Data: <&#224;a&#245; I           > E0 61 F5 19 49 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000024919F55980, 16 bytes long.
 Data: <&#184;a&#245; I           > B8 61 F5 19 49 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000024919F55B10, 16 bytes long.
 Data: < a&#245; I           > 90 61 F5 19 49 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000024919F55A70, 16 bytes long.
 Data: < D&#245; I           > 80 44 F5 19 49 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000024919F54480, 40 bytes long.
 Data: <pZ&#245; I   @s&#187; I   > 70 5A F5 19 49 02 00 00 40 73 BB 1B 49 02 00 00 
{261} normal block at 0x0000024919F55D40, 16 bytes long.
 Data: <pa&#245; I           > 70 61 F5 19 49 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000024919F55430, 16 bytes long.
 Data: <Ha&#245; I           > 48 61 F5 19 49 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000024919F4FEF0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{258} normal block at 0x0000024919F551B0, 16 bytes long.
 Data: < a&#245; I           > 20 61 F5 19 49 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000024919F56120, 992 bytes long.
 Data: <&#176;Q&#245; I   &#240;&#254;&#244; I   > B0 51 F5 19 49 02 00 00 F0 FE F4 19 49 02 00 00 
{93} normal block at 0x0000024919F4FD10, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{92} normal block at 0x0000024919F4EAF0, 16 bytes long.
 Data: < &#238;&#243; I           > 90 EE F3 19 49 02 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x0000024919F3EE90, 40 bytes long.
 Data: <&#240;&#234;&#244; I    &#253;&#244; I   > F0 EA F4 19 49 02 00 00 10 FD F4 19 49 02 00 00 
{70} normal block at 0x0000024919F4ED70, 16 bytes long.
 Data: < &#234;&#229;x&#246;           > 80 EA E5 78 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000024919F4E910, 16 bytes long.
 Data: <@&#233;&#229;x&#246;           > 40 E9 E5 78 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000024919F4EB40, 16 bytes long.
 Data: <&#248;W&#226;x&#246;           > F8 57 E2 78 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000024919F4E8C0, 16 bytes long.
 Data: <&#216;W&#226;x&#246;           > D8 57 E2 78 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000024919F4F2C0, 16 bytes long.
 Data: <P &#226;x&#246;           > 50 04 E2 78 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000024919F4E870, 16 bytes long.
 Data: <0 &#226;x&#246;           > 30 04 E2 78 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000024919F4F130, 16 bytes long.
 Data: <&#224; &#226;x&#246;           > E0 02 E2 78 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000024919F4F360, 16 bytes long.
 Data: <  &#226;x&#246;           > 10 04 E2 78 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000024919F4F090, 16 bytes long.
 Data: <p &#226;x&#246;           > 70 04 E2 78 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000024919F4E5A0, 16 bytes long.
 Data: < &#192;&#224;x&#246;           > 18 C0 E0 78 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra