Task 38680676

Name test_357-GPUGRID_TEST_ATM_40STEP_20261023-23-40-RND3219_0
Workunit 31622385
Created 27 Oct 2026, 0:49:50 UTC
Sent 27 Oct 2026, 0:49:56 UTC
Report deadline 1 Nov 2026, 0:49:56 UTC
Received 27 Oct 2026, 3:26:45 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 630191
Run time 36 min 31 sec
CPU time 33 min 52 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 15,394.34 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 759.13 MB
Peak swap size 12.92 GB
Peak disk usage 3.11 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
22:50:06 (5992): wrapper (7.9.26016): starting
22:50:06 (5992): 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
22:50:08 (5992): Library/usr/bin/tar.exe exited; CPU time 0.000000
22:50:08 (5992): 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
23:25:16 (5992): C:/Windows/system32/cmd.exe exited; CPU time 2032.125000
23:25:16 (5992): called boinc_finish(0)
0 bytes in 0 Free Blocks.
536 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: 41856421 bytes.
Dumping objects ->
{3835559} normal block at 0x0000022A43CBE970, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835548} normal block at 0x0000022A41FA56F0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835537} normal block at 0x0000022A41FA5680, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835526} normal block at 0x0000022A41FA55A0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835515} normal block at 0x0000022A41FA51B0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835484} normal block at 0x0000022A43D07110, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835473} normal block at 0x0000022A4200B0E0, 140 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) : {3835470} normal block at 0x0000022A41F9DF70, 8 bytes long.
 Data: <  &#245;A*   > 00 00 F5 41 2A 02 00 00 
{3834709} normal block at 0x0000022A4200AC00, 140 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833965} normal block at 0x0000022A41F9E380, 8 bytes long.
 Data: <PY&#217;C*   > 50 59 D9 43 2A 02 00 00 
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x0000022A41FA1590, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x0000022A41F97220, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{298} normal block at 0x0000022A41FA65F0, 16 bytes long.
 Data: <&#184;u&#250;A*           > B8 75 FA 41 2A 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000022A41FA65A0, 16 bytes long.
 Data: < u&#250;A*           > 90 75 FA 41 2A 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000022A41F9FE00, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{295} normal block at 0x0000022A41FA6320, 16 bytes long.
 Data: <hu&#250;A*           > 68 75 FA 41 2A 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000022A41FA6960, 16 bytes long.
 Data: <@u&#250;A*           > 40 75 FA 41 2A 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000022A41FA7220, 16 bytes long.
 Data: < u&#250;A*           > 18 75 FA 41 2A 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000022A41FA6CD0, 16 bytes long.
 Data: <&#240;t&#250;A*           > F0 74 FA 41 2A 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000022A41FA5220, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{290} normal block at 0x0000022A41FA6C30, 16 bytes long.
 Data: < ^&#250;A*           > 88 5E FA 41 2A 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000022A41F9FF80, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{288} normal block at 0x0000022A41FA6DC0, 16 bytes long.
 Data: <`^&#250;A*           > 60 5E FA 41 2A 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000022A41FA6FA0, 16 bytes long.
 Data: <8^&#250;A*           > 38 5E FA 41 2A 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000022A41FA6D20, 16 bytes long.
 Data: < ^&#250;A*           > 10 5E FA 41 2A 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000022A41FA6B40, 16 bytes long.
 Data: <&#232;]&#250;A*           > E8 5D FA 41 2A 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000022A41FA6BE0, 16 bytes long.
 Data: <&#192;]&#250;A*           > C0 5D FA 41 2A 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000022A41FA6A50, 16 bytes long.
 Data: < ]&#250;A*           > 98 5D FA 41 2A 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000022A41FA0640, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{280} normal block at 0x0000022A41FA6AA0, 16 bytes long.
 Data: <p]&#250;A*           > 70 5D FA 41 2A 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000022A41FA5D70, 320 bytes long.
 Data: <&#160;j&#250;A*   @ &#250;A*   > A0 6A FA 41 2A 02 00 00 40 06 FA 41 2A 02 00 00 
{278} normal block at 0x0000022A41FA7130, 16 bytes long.
 Data: <&#208;t&#250;A*           > D0 74 FA 41 2A 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000022A41FA6C80, 16 bytes long.
 Data: <&#168;t&#250;A*           > A8 74 FA 41 2A 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000022A41FA0460, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{275} normal block at 0x0000022A41FA62D0, 16 bytes long.
 Data: < t&#250;A*           > 80 74 FA 41 2A 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000022A41FA0B80, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{273} normal block at 0x0000022A41FA71D0, 16 bytes long.
 Data: <&#200;s&#250;A*           > C8 73 FA 41 2A 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000022A41FA6870, 16 bytes long.
 Data: <&#160;s&#250;A*           > A0 73 FA 41 2A 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000022A41FA6370, 16 bytes long.
 Data: <xs&#250;A*           > 78 73 FA 41 2A 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000022A41FA6550, 16 bytes long.
 Data: <Ps&#250;A*           > 50 73 FA 41 2A 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000022A41FA6910, 16 bytes long.
 Data: <(s&#250;A*           > 28 73 FA 41 2A 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000022A41FA68C0, 16 bytes long.
 Data: < s&#250;A*           > 00 73 FA 41 2A 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000022A41FA64B0, 16 bytes long.
 Data: <&#224;S&#250;A*           > E0 53 FA 41 2A 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000022A41FA53E0, 40 bytes long.
 Data: <&#176;d&#250;A*    q&#208;C*   > B0 64 FA 41 2A 02 00 00 10 71 D0 43 2A 02 00 00 
{264} normal block at 0x0000022A41FA6500, 16 bytes long.
 Data: <&#224;r&#250;A*           > E0 72 FA 41 2A 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000022A41FA6690, 16 bytes long.
 Data: <&#184;r&#250;A*           > B8 72 FA 41 2A 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000022A41FA00A0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{261} normal block at 0x0000022A41FA6E10, 16 bytes long.
 Data: < r&#250;A*           > 90 72 FA 41 2A 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000022A41FA7290, 992 bytes long.
 Data: < n&#250;A*   &#160; &#250;A*   > 10 6E FA 41 2A 02 00 00 A0 00 FA 41 2A 02 00 00 
{96} normal block at 0x0000022A41FA0A00, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{95} normal block at 0x0000022A41F9DC50, 16 bytes long.
 Data: < &#205;&#248;A*           > 00 CD F8 41 2A 02 00 00 00 00 00 00 00 00 00 00 
{94} normal block at 0x0000022A41F8CD00, 40 bytes long.
 Data: <P&#220;&#249;A*     &#250;A*   > 50 DC F9 41 2A 02 00 00 00 0A FA 41 2A 02 00 00 
{73} normal block at 0x0000022A41F9E4C0, 16 bytes long.
 Data: < &#234;1P&#247;           > 80 EA 31 50 F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x0000022A41F9E010, 16 bytes long.
 Data: <@&#233;1P&#247;           > 40 E9 31 50 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000022A41F9E6A0, 16 bytes long.
 Data: <&#248;W.P&#247;           > F8 57 2E 50 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000022A41F9DD40, 16 bytes long.
 Data: <&#216;W.P&#247;           > D8 57 2E 50 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000022A41F9E650, 16 bytes long.
 Data: <P .P&#247;           > 50 04 2E 50 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000022A41F9DFC0, 16 bytes long.
 Data: <0 .P&#247;           > 30 04 2E 50 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000022A41F9E470, 16 bytes long.
 Data: <&#224; .P&#247;           > E0 02 2E 50 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000022A41F9DAC0, 16 bytes long.
 Data: <  .P&#247;           > 10 04 2E 50 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000022A41F9DA20, 16 bytes long.
 Data: <p .P&#247;           > 70 04 2E 50 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000022A41F9DBB0, 16 bytes long.
 Data: < &#192;,P&#247;           > 18 C0 2C 50 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra