Task 38662383

Name test_815-GPUGRID_TEST_ATM_40STEP_20261023-7-40-RND7273_0
Workunit 31605644
Created 24 Oct 2026, 18:54:43 UTC
Sent 24 Oct 2026, 18:55:56 UTC
Report deadline 29 Oct 2026, 18:55:56 UTC
Received 24 Oct 2026, 21:22:14 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 636179
Run time 18 min 17 sec
CPU time 18 min 17 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 50,491.95 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 752.96 MB
Peak swap size 10.04 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
21:15:59 (42728): wrapper (7.9.26016): starting
21:15:59 (42728): 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
21:16:00 (42728): Library/usr/bin/tar.exe exited; CPU time 0.000000
21:16:00 (42728): 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
21:34:35 (42728): C:/Windows/system32/cmd.exe exited; CPU time 1097.640625
21:34:35 (42728): called boinc_finish(0)
0 bytes in 0 Free Blocks.
538 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: 21209613 bytes.
Dumping objects ->
{3835481} normal block at 0x0000022B2F3F4930, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835470} normal block at 0x0000022B2D5B54A0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835459} normal block at 0x0000022B2D5B5740, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835448} normal block at 0x0000022B2D5B53C0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835437} normal block at 0x0000022B2D5B56D0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835406} normal block at 0x0000022B2F367EA0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835395} normal block at 0x0000022B2D60DD10, 141 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) : {3835392} normal block at 0x0000022B2D5B0F70, 8 bytes long.
 Data: <  &#198;-+   > 00 00 C6 2D 2B 02 00 00 
{3834669} normal block at 0x0000022B2D60E1F0, 141 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833963} normal block at 0x0000022B2D5B15B0, 8 bytes long.
 Data: < &#224;Y-+   > 90 E0 59 2D 2B 02 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x0000022B2D5A7280, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000022B2D5A7870, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{297} normal block at 0x0000022B2D5B6DD0, 16 bytes long.
 Data: <hq[-+           > 68 71 5B 2D 2B 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000022B2D5B6A60, 16 bytes long.
 Data: <@q[-+           > 40 71 5B 2D 2B 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000022B2D5AECA0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{294} normal block at 0x0000022B2D5B5F20, 16 bytes long.
 Data: < q[-+           > 18 71 5B 2D 2B 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000022B2D5B62E0, 16 bytes long.
 Data: <&#240;p[-+           > F0 70 5B 2D 2B 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000022B2D5B5ED0, 16 bytes long.
 Data: <&#200;p[-+           > C8 70 5B 2D 2B 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000022B2D5B6330, 16 bytes long.
 Data: <&#160;p[-+           > A0 70 5B 2D 2B 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000022B2D5B5510, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{289} normal block at 0x0000022B2D5B6510, 16 bytes long.
 Data: <8 Z-+           > 38 03 5A 2D 2B 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000022B2D5AF4E0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{287} normal block at 0x0000022B2D5B6600, 16 bytes long.
 Data: <  Z-+           > 10 03 5A 2D 2B 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000022B2D5B6C40, 16 bytes long.
 Data: <&#232; Z-+           > E8 02 5A 2D 2B 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000022B2D5B6BA0, 16 bytes long.
 Data: <&#192; Z-+           > C0 02 5A 2D 2B 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000022B2D5B6BF0, 16 bytes long.
 Data: <  Z-+           > 98 02 5A 2D 2B 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000022B2D5B68D0, 16 bytes long.
 Data: <p Z-+           > 70 02 5A 2D 2B 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000022B2D5B6B00, 16 bytes long.
 Data: <H Z-+           > 48 02 5A 2D 2B 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000022B2D5AF1E0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{279} normal block at 0x0000022B2D5B6CE0, 16 bytes long.
 Data: <  Z-+           > 20 02 5A 2D 2B 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000022B2D5A0220, 320 bytes long.
 Data: <&#224;l[-+   &#224;&#241;Z-+   > E0 6C 5B 2D 2B 02 00 00 E0 F1 5A 2D 2B 02 00 00 
{277} normal block at 0x0000022B2D5B61A0, 16 bytes long.
 Data: < p[-+           > 80 70 5B 2D 2B 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000022B2D5B6150, 16 bytes long.
 Data: <Xp[-+           > 58 70 5B 2D 2B 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000022B2D5AF180, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{274} normal block at 0x0000022B2D5B6C90, 16 bytes long.
 Data: <0p[-+           > 30 70 5B 2D 2B 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000022B2D5AEE20, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{272} normal block at 0x0000022B2D5B6830, 16 bytes long.
 Data: <xo[-+           > 78 6F 5B 2D 2B 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000022B2D5B6560, 16 bytes long.
 Data: <Po[-+           > 50 6F 5B 2D 2B 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000022B2D5B64C0, 16 bytes long.
 Data: <(o[-+           > 28 6F 5B 2D 2B 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000022B2D5B6B50, 16 bytes long.
 Data: < o[-+           > 00 6F 5B 2D 2B 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000022B2D5B6740, 16 bytes long.
 Data: <&#216;n[-+           > D8 6E 5B 2D 2B 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000022B2D5B6100, 16 bytes long.
 Data: <&#176;n[-+           > B0 6E 5B 2D 2B 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000022B2D5B6420, 16 bytes long.
 Data: <`V[-+           > 60 56 5B 2D 2B 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000022B2D5B5660, 40 bytes long.
 Data: < d[-+   &#160;~6/+   > 20 64 5B 2D 2B 02 00 00 A0 7E 36 2F 2B 02 00 00 
{263} normal block at 0x0000022B2D5B61F0, 16 bytes long.
 Data: < n[-+           > 90 6E 5B 2D 2B 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000022B2D5B60B0, 16 bytes long.
 Data: <hn[-+           > 68 6E 5B 2D 2B 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000022B2D5AE9A0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{260} normal block at 0x0000022B2D5B6470, 16 bytes long.
 Data: <@n[-+           > 40 6E 5B 2D 2B 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000022B2D5B6E40, 992 bytes long.
 Data: <pd[-+   &#160;&#233;Z-+   > 70 64 5B 2D 2B 02 00 00 A0 E9 5A 2D 2B 02 00 00 
{95} normal block at 0x0000022B2D5AF720, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{94} normal block at 0x0000022B2D5B0F20, 16 bytes long.
 Data: <&#240;&#232;Y-+           > F0 E8 59 2D 2B 02 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x0000022B2D59E8F0, 40 bytes long.
 Data: <  [-+    &#247;Z-+   > 20 0F 5B 2D 2B 02 00 00 20 F7 5A 2D 2B 02 00 00 
{72} normal block at 0x0000022B2D5B16A0, 16 bytes long.
 Data: < &#234;pR&#246;           > 80 EA 70 52 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000022B2D5B14C0, 16 bytes long.
 Data: <@&#233;pR&#246;           > 40 E9 70 52 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000022B2D5B0ED0, 16 bytes long.
 Data: <&#248;WmR&#246;           > F8 57 6D 52 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000022B2D5B1510, 16 bytes long.
 Data: <&#216;WmR&#246;           > D8 57 6D 52 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000022B2D5B1240, 16 bytes long.
 Data: <P mR&#246;           > 50 04 6D 52 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000022B2D5B09D0, 16 bytes long.
 Data: <0 mR&#246;           > 30 04 6D 52 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000022B2D5B1470, 16 bytes long.
 Data: <&#224; mR&#246;           > E0 02 6D 52 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000022B2D5B1600, 16 bytes long.
 Data: <  mR&#246;           > 10 04 6D 52 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000022B2D5B1420, 16 bytes long.
 Data: <p mR&#246;           > 70 04 6D 52 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000022B2D5B1100, 16 bytes long.
 Data: < &#192;kR&#246;           > 18 C0 6B 52 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra