Task 38679401

Name test_810-GPUGRID_TEST_ATM_40STEP_20261023-30-40-RND7623_0
Workunit 31621177
Created 26 Oct 2026, 20:26:09 UTC
Sent 26 Oct 2026, 20:26:10 UTC
Report deadline 31 Oct 2026, 20:26:10 UTC
Received 26 Oct 2026, 21:17:03 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 623100
Run time 24 min 48 sec
CPU time 22 min 58 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 31,239.72 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 777.34 MB
Peak swap size 9.99 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
22:52:44 (16200): wrapper (7.9.26016): starting
22:52:44 (16200): 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
22:52:45 (16200): Library/usr/bin/tar.exe exited; CPU time 0.000000
22:52:45 (16200): 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\1\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\1\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
23:16:47 (16200): C:/Windows/system32/cmd.exe exited; CPU time 1378.140625
23:16:47 (16200): 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: 22911883 bytes.
Dumping objects ->
{3835317} normal block at 0x000002C481535510, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835306} normal block at 0x000002C4815354A0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835295} normal block at 0x000002C481535350, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835284} normal block at 0x000002C481534FD0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835273} normal block at 0x000002C481534EF0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835242} normal block at 0x000002C483349D80, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835231} normal block at 0x000002C48335E520, 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) : {3835228} normal block at 0x000002C48152F7D0, 8 bytes long.
 Data: <  P &#196;   > 00 00 50 81 C4 02 00 00 
{3834592} normal block at 0x000002C48335E5D0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833969} normal block at 0x000002C48152F280, 8 bytes long.
 Data: <0&#212;` &#196;   > 30 D4 60 81 C4 02 00 00 
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x000002C481530F60, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x000002C4815261A0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{300} normal block at 0x000002C4815364A0, 16 bytes long.
 Data: <xiS &#196;           > 78 69 53 81 C4 02 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000002C481536450, 16 bytes long.
 Data: <PiS &#196;           > 50 69 53 81 C4 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000002C48152E2F0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{297} normal block at 0x000002C481535B90, 16 bytes long.
 Data: <(iS &#196;           > 28 69 53 81 C4 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000002C481535AA0, 16 bytes long.
 Data: < iS &#196;           > 00 69 53 81 C4 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002C481535D20, 16 bytes long.
 Data: <&#216;hS &#196;           > D8 68 53 81 C4 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000002C481536400, 16 bytes long.
 Data: <&#176;hS &#196;           > B0 68 53 81 C4 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002C481535270, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{292} normal block at 0x000002C481536220, 16 bytes long.
 Data: <8&#143;R &#196;           > 38 8F 52 81 C4 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002C48152DB70, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{290} normal block at 0x000002C4815356E0, 16 bytes long.
 Data: < &#143;R &#196;           > 10 8F 52 81 C4 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002C481535690, 16 bytes long.
 Data: <&#232; R &#196;           > E8 8E 52 81 C4 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002C481535CD0, 16 bytes long.
 Data: <&#192; R &#196;           > C0 8E 52 81 C4 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002C481536040, 16 bytes long.
 Data: <  R &#196;           > 98 8E 52 81 C4 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002C481536270, 16 bytes long.
 Data: <p R &#196;           > 70 8E 52 81 C4 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002C481535DC0, 16 bytes long.
 Data: <H R &#196;           > 48 8E 52 81 C4 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002C48152D3F0, 32 bytes long.
 Data: <CUDA_DEVICE=1 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 31 00 50 55 
{282} normal block at 0x000002C481535EB0, 16 bytes long.
 Data: <  R &#196;           > 20 8E 52 81 C4 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002C481528E20, 320 bytes long.
 Data: <&#176;^S &#196;   &#240;&#211;R &#196;   > B0 5E 53 81 C4 02 00 00 F0 D3 52 81 C4 02 00 00 
{280} normal block at 0x000002C481535C30, 16 bytes long.
 Data: < hS &#196;           > 90 68 53 81 C4 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002C4815357D0, 16 bytes long.
 Data: <hhS &#196;           > 68 68 53 81 C4 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002C48152D4B0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{277} normal block at 0x000002C481535A50, 16 bytes long.
 Data: <@hS &#196;           > 40 68 53 81 C4 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002C48152D5D0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{275} normal block at 0x000002C4815364F0, 16 bytes long.
 Data: < gS &#196;           > 88 67 53 81 C4 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002C4815361D0, 16 bytes long.
 Data: <`gS &#196;           > 60 67 53 81 C4 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002C481535B40, 16 bytes long.
 Data: <8gS &#196;           > 38 67 53 81 C4 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002C481535AF0, 16 bytes long.
 Data: < gS &#196;           > 10 67 53 81 C4 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002C481535780, 16 bytes long.
 Data: <&#232;fS &#196;           > E8 66 53 81 C4 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002C481535870, 16 bytes long.
 Data: <&#192;fS &#196;           > C0 66 53 81 C4 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002C481536590, 16 bytes long.
 Data: < NS &#196;           > 80 4E 53 81 C4 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002C481534E80, 40 bytes long.
 Data: < eS &#196;    &#157;4 &#196;   > 90 65 53 81 C4 02 00 00 80 9D 34 83 C4 02 00 00 
{266} normal block at 0x000002C481536360, 16 bytes long.
 Data: <&#160;fS &#196;           > A0 66 53 81 C4 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002C481535C80, 16 bytes long.
 Data: <xfS &#196;           > 78 66 53 81 C4 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002C48152DC30, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{263} normal block at 0x000002C481535910, 16 bytes long.
 Data: <PfS &#196;           > 50 66 53 81 C4 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002C481536650, 992 bytes long.
 Data: < YS &#196;   0&#220;R &#196;   > 10 59 53 81 C4 02 00 00 30 DC 52 81 C4 02 00 00 
{98} normal block at 0x000002C48152DE70, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{97} normal block at 0x000002C48152F780, 16 bytes long.
 Data: <&#192;&#225;Q &#196;           > C0 E1 51 81 C4 02 00 00 00 00 00 00 00 00 00 00 
{96} normal block at 0x000002C48151E1C0, 40 bytes long.
 Data: < &#247;R &#196;   p&#222;R &#196;   > 80 F7 52 81 C4 02 00 00 70 DE 52 81 C4 02 00 00 
{75} normal block at 0x000002C48152F690, 16 bytes long.
 Data: < &#234;i &#246;           > 80 EA 69 98 F6 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x000002C48152FAA0, 16 bytes long.
 Data: <@&#233;i &#246;           > 40 E9 69 98 F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000002C48152FC80, 16 bytes long.
 Data: <&#248;Wf &#246;           > F8 57 66 98 F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000002C48152F640, 16 bytes long.
 Data: <&#216;Wf &#246;           > D8 57 66 98 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000002C48152F8C0, 16 bytes long.
 Data: <P f &#246;           > 50 04 66 98 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002C48152FD70, 16 bytes long.
 Data: <0 f &#246;           > 30 04 66 98 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002C48152F000, 16 bytes long.
 Data: <&#224; f &#246;           > E0 02 66 98 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002C48152F5F0, 16 bytes long.
 Data: <  f &#246;           > 10 04 66 98 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002C48152F820, 16 bytes long.
 Data: <p f &#246;           > 70 04 66 98 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002C48152F320, 16 bytes long.
 Data: < &#192;d &#246;           > 18 C0 64 98 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra