Task 38658120

Name test_329-GPUGRID_TEST_ATM_2STEP_20261024-1-2-RND1918_0
Workunit 31601723
Created 24 Oct 2026, 12:21:35 UTC
Sent 24 Oct 2026, 12:27:26 UTC
Report deadline 29 Oct 2026, 12:27:26 UTC
Received 24 Oct 2026, 14:01:20 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654886
Run time 27 min 19 sec
CPU time 24 min 10 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 30,871.08 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 719.13 MB
Peak swap size 5.42 GB
Peak disk usage 3.56 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
14:33:53 (15280): wrapper (7.9.26016): starting
14:33:53 (15280): 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
14:33:54 (15280): Library/usr/bin/tar.exe exited; CPU time 0.000000
14:33:54 (15280): 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
15:00:17 (15280): C:/Windows/system32/cmd.exe exited; CPU time 1450.406250
15:00:17 (15280): 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: 23120645 bytes.
Dumping objects ->
{3835235} normal block at 0x0000021537334C00, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835224} normal block at 0x0000021537334D50, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835213} normal block at 0x0000021537334B90, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835202} normal block at 0x0000021537334B20, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835191} normal block at 0x0000021537334960, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835160} normal block at 0x0000021538F61B80, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835149} normal block at 0x0000021538F6EBC0, 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) : {3835146} normal block at 0x000002153732A980, 8 bytes long.
 Data: <  ,7    > 00 00 2C 37 15 02 00 00 
{3834547} normal block at 0x0000021538F6EC70, 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 0x0000021537329FD0, 8 bytes long.
 Data: <@&#235;@7    > 40 EB 40 37 15 02 00 00 
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x0000021537330680, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x0000021537325CB0, 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 0x0000021537335040, 16 bytes long.
 Data: <Ha37            > 48 61 33 37 15 02 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x00000215373357C0, 16 bytes long.
 Data: < a37            > 20 61 33 37 15 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000002153732E470, 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 0x0000021537335720, 16 bytes long.
 Data: <&#248;`37            > F8 60 33 37 15 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000021537335590, 16 bytes long.
 Data: <&#208;`37            > D0 60 33 37 15 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000021537334E60, 16 bytes long.
 Data: <&#168;`37            > A8 60 33 37 15 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000021537335450, 16 bytes long.
 Data: < `37            > 80 60 33 37 15 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000021537334810, 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 0x0000021537335400, 16 bytes long.
 Data: <&#184;&#233;17            > B8 E9 31 37 15 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002153732E1D0, 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 0x0000021537335D10, 16 bytes long.
 Data: < &#233;17            > 90 E9 31 37 15 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000215373356D0, 16 bytes long.
 Data: <h&#233;17            > 68 E9 31 37 15 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000021537334FF0, 16 bytes long.
 Data: <@&#233;17            > 40 E9 31 37 15 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000215373350E0, 16 bytes long.
 Data: < &#233;17            > 18 E9 31 37 15 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000021537335540, 16 bytes long.
 Data: <&#240;&#232;17            > F0 E8 31 37 15 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000021537335950, 16 bytes long.
 Data: <&#200;&#232;17            > C8 E8 31 37 15 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002153732E950, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{282} normal block at 0x0000021537335630, 16 bytes long.
 Data: <&#160;&#232;17            > A0 E8 31 37 15 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002153731E8A0, 320 bytes long.
 Data: <0V37    P&#233;27    > 30 56 33 37 15 02 00 00 50 E9 32 37 15 02 00 00 
{280} normal block at 0x0000021537335770, 16 bytes long.
 Data: <``37            > 60 60 33 37 15 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000215373354F0, 16 bytes long.
 Data: <8`37            > 38 60 33 37 15 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002153732DE10, 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 0x0000021537335090, 16 bytes long.
 Data: < `37            > 10 60 33 37 15 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002153732EA10, 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 0x00000215373353B0, 16 bytes long.
 Data: <X_37            > 58 5F 33 37 15 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000021537335DB0, 16 bytes long.
 Data: <0_37            > 30 5F 33 37 15 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000021537335360, 16 bytes long.
 Data: < _37            > 08 5F 33 37 15 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000215373352C0, 16 bytes long.
 Data: <&#224;^37            > E0 5E 33 37 15 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000021537335B80, 16 bytes long.
 Data: <&#184;^37            > B8 5E 33 37 15 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000021537335CC0, 16 bytes long.
 Data: < ^37            > 90 5E 33 37 15 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000021537335C70, 16 bytes long.
 Data: <&#192;F37            > C0 46 33 37 15 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000215373346C0, 40 bytes long.
 Data: <p\37      &#246;8    > 70 5C 33 37 15 02 00 00 80 1B F6 38 15 02 00 00 
{266} normal block at 0x00000215373354A0, 16 bytes long.
 Data: <p^37            > 70 5E 33 37 15 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000021537335180, 16 bytes long.
 Data: <H^37            > 48 5E 33 37 15 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002153732E9B0, 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 0x00000215373355E0, 16 bytes long.
 Data: < ^37            > 20 5E 33 37 15 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000021537335E20, 992 bytes long.
 Data: <&#224;U37    &#176;&#233;27    > E0 55 33 37 15 02 00 00 B0 E9 32 37 15 02 00 00 
{98} normal block at 0x000002153732E6B0, 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 0x0000021537329F80, 16 bytes long.
 Data: <&#208;&#214;17            > D0 D6 31 37 15 02 00 00 00 00 00 00 00 00 00 00 
{96} normal block at 0x000002153731D6D0, 40 bytes long.
 Data: < &#159;27    &#176;&#230;27    > 80 9F 32 37 15 02 00 00 B0 E6 32 37 15 02 00 00 
{75} normal block at 0x000002153732A7A0, 16 bytes long.
 Data: < &#234;&#195;i&#247;           > 80 EA C3 69 F7 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x000002153732A390, 16 bytes long.
 Data: <@&#233;&#195;i&#247;           > 40 E9 C3 69 F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000002153732A110, 16 bytes long.
 Data: <&#248;W&#192;i&#247;           > F8 57 C0 69 F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000002153732A750, 16 bytes long.
 Data: <&#216;W&#192;i&#247;           > D8 57 C0 69 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000021537329DA0, 16 bytes long.
 Data: <P &#192;i&#247;           > 50 04 C0 69 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000021537329D50, 16 bytes long.
 Data: <0 &#192;i&#247;           > 30 04 C0 69 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002153732AA70, 16 bytes long.
 Data: <&#224; &#192;i&#247;           > E0 02 C0 69 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002153732A200, 16 bytes long.
 Data: <  &#192;i&#247;           > 10 04 C0 69 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000021537329DF0, 16 bytes long.
 Data: <p &#192;i&#247;           > 70 04 C0 69 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000021537329EE0, 16 bytes long.
 Data: < &#192;&#190;i&#247;           > 18 C0 BE 69 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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