Task 38684051

Name test_189-GPUGRID_TEST_ATM_40STEP_20261023-38-40-RND5899_0
Workunit 31625578
Created 27 Oct 2026, 14:30:36 UTC
Sent 27 Oct 2026, 14:30:36 UTC
Report deadline 1 Nov 2026, 14:30:36 UTC
Received 27 Oct 2026, 16:46:45 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 606795
Run time 2 hours 5 min 46 sec
CPU time 2 hours 5 min 46 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 12,741.16 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 696.88 MB
Peak swap size 5.35 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
08:32:05 (68760): wrapper (7.9.26016): starting
08:32:05 (68760): 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
08:32:06 (68760): Library/usr/bin/tar.exe exited; CPU time 0.000000
08:32:06 (68760): 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\5\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\5\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
10:46:16 (68760): C:/Windows/system32/cmd.exe exited; CPU time 7546.281250
10:46:16 (68760): called boinc_finish(0)
0 bytes in 0 Free Blocks.
536 bytes in 8 Normal Blocks.
2288 bytes in 2 CRT Blocks.
0 bytes in 0 Ignore Blocks.
0 bytes in 0 Client Blocks.
Largest number used: 0 bytes.
Total allocations: 169681331 bytes.
Dumping objects ->
{3835232} normal block at 0x00000200FA58D230, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835221} normal block at 0x00000200F8894990, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835210} normal block at 0x00000200F8894920, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835199} normal block at 0x00000200F8894A00, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835188} normal block at 0x00000200F8895020, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835157} normal block at 0x00000200FA5D8CA0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835146} normal block at 0x00000200F88FA340, 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) : {3835143} normal block at 0x00000200F888EDF0, 8 bytes long.
 Data: <  &#214;&#248;    > 00 00 D6 F8 00 02 00 00 
{3834543} normal block at 0x00000200F88FA270, 140 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833961} normal block at 0x00000200F888EBC0, 8 bytes long.
 Data: <`Jf&#250;    > 60 4A 66 FA 00 02 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x00000200F8891540, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000200F88863B0, 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 0x00000200F8895670, 16 bytes long.
 Data: < h&#137;&#248;            > 18 68 89 F8 00 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000200F8895DA0, 16 bytes long.
 Data: <&#240;g&#137;&#248;            > F0 67 89 F8 00 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000200F8890530, 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 0x00000200F8895BC0, 16 bytes long.
 Data: <&#200;g&#137;&#248;            > C8 67 89 F8 00 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000200F8895620, 16 bytes long.
 Data: <&#160;g&#137;&#248;            > A0 67 89 F8 00 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000200F8895B20, 16 bytes long.
 Data: <xg&#137;&#248;            > 78 67 89 F8 00 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000200F8895760, 16 bytes long.
 Data: <Pg&#137;&#248;            > 50 67 89 F8 00 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000200F8894CA0, 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 0x00000200F8895580, 16 bytes long.
 Data: <&#232;&#231; &#248;            > E8 E7 88 F8 00 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000200F88906B0, 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 0x00000200F8895530, 16 bytes long.
 Data: <&#192;&#231; &#248;            > C0 E7 88 F8 00 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000200F8896250, 16 bytes long.
 Data: < &#231; &#248;            > 98 E7 88 F8 00 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000200F8895EE0, 16 bytes long.
 Data: <p&#231; &#248;            > 70 E7 88 F8 00 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000200F88963E0, 16 bytes long.
 Data: <H&#231; &#248;            > 48 E7 88 F8 00 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000200F8895AD0, 16 bytes long.
 Data: < &#231; &#248;            > 20 E7 88 F8 00 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000200F8895A30, 16 bytes long.
 Data: <&#248;&#230; &#248;            > F8 E6 88 F8 00 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000200F88905F0, 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 0x00000200F8895A80, 16 bytes long.
 Data: <&#208;&#230; &#248;            > D0 E6 88 F8 00 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000200F888E6D0, 320 bytes long.
 Data: < Z&#137;&#248;    &#240; &#137;&#248;    > 80 5A 89 F8 00 02 00 00 F0 05 89 F8 00 02 00 00 
{276} normal block at 0x00000200F8896480, 16 bytes long.
 Data: <0g&#137;&#248;            > 30 67 89 F8 00 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000200F8895E90, 16 bytes long.
 Data: < g&#137;&#248;            > 08 67 89 F8 00 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000200F888FF30, 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 0x00000200F88958A0, 16 bytes long.
 Data: <&#224;f&#137;&#248;            > E0 66 89 F8 00 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000200F8890350, 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 0x00000200F8895B70, 16 bytes long.
 Data: <(f&#137;&#248;            > 28 66 89 F8 00 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000200F8895F80, 16 bytes long.
 Data: < f&#137;&#248;            > 00 66 89 F8 00 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000200F8895D00, 16 bytes long.
 Data: <&#216;e&#137;&#248;            > D8 65 89 F8 00 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000200F8895C60, 16 bytes long.
 Data: <&#176;e&#137;&#248;            > B0 65 89 F8 00 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000200F8896200, 16 bytes long.
 Data: < e&#137;&#248;            > 88 65 89 F8 00 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000200F88961B0, 16 bytes long.
 Data: <`e&#137;&#248;            > 60 65 89 F8 00 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000200F8895E40, 16 bytes long.
 Data: <&#208;N&#137;&#248;            > D0 4E 89 F8 00 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000200F8894ED0, 40 bytes long.
 Data: <@^&#137;&#248;    &#160;&#140;]&#250;    > 40 5E 89 F8 00 02 00 00 A0 8C 5D FA 00 02 00 00 
{262} normal block at 0x00000200F8896390, 16 bytes long.
 Data: <@e&#137;&#248;            > 40 65 89 F8 00 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000200F88955D0, 16 bytes long.
 Data: < e&#137;&#248;            > 18 65 89 F8 00 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000200F88904D0, 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 0x00000200F8895800, 16 bytes long.
 Data: <&#240;d&#137;&#248;            > F0 64 89 F8 00 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000200F88964F0, 992 bytes long.
 Data: < X&#137;&#248;    &#208; &#137;&#248;    > 00 58 89 F8 00 02 00 00 D0 04 89 F8 00 02 00 00 
{94} normal block at 0x00000200F8890290, 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 0x00000200F888F520, 16 bytes long.
 Data: <&#192;&#230;&#135;&#248;            > C0 E6 87 F8 00 02 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x00000200F887E6C0, 40 bytes long.
 Data: < &#245; &#248;      &#137;&#248;    > 20 F5 88 F8 00 02 00 00 90 02 89 F8 00 02 00 00 
{71} normal block at 0x00000200F888F480, 16 bytes long.
 Data: < &#234;&#190;)&#247;           > 80 EA BE 29 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000200F888F930, 16 bytes long.
 Data: <@&#233;&#190;)&#247;           > 40 E9 BE 29 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000200F888F660, 16 bytes long.
 Data: <&#248;W&#187;)&#247;           > F8 57 BB 29 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000200F888F390, 16 bytes long.
 Data: <&#216;W&#187;)&#247;           > D8 57 BB 29 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000200F888F340, 16 bytes long.
 Data: <P &#187;)&#247;           > 50 04 BB 29 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000200F888F840, 16 bytes long.
 Data: <0 &#187;)&#247;           > 30 04 BB 29 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000200F888F2F0, 16 bytes long.
 Data: <&#224; &#187;)&#247;           > E0 02 BB 29 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000200F888F2A0, 16 bytes long.
 Data: <  &#187;)&#247;           > 10 04 BB 29 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000200F888F160, 16 bytes long.
 Data: <p &#187;)&#247;           > 70 04 BB 29 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000200F888F1B0, 16 bytes long.
 Data: < &#192;&#185;)&#247;           > 18 C0 B9 29 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra