Task 38683058

Name test_737-GPUGRID_TEST_ATM_40STEP_20261023-21-40-RND1099_0
Workunit 31624639
Created 27 Oct 2026, 10:14:57 UTC
Sent 27 Oct 2026, 10:15:01 UTC
Report deadline 1 Nov 2026, 10:15:01 UTC
Received 27 Oct 2026, 11:22:03 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 607849
Run time 26 min 42 sec
CPU time 23 min 56 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 35,485.23 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 720.77 MB
Peak swap size 6.94 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
11:55:48 (7156): wrapper (7.9.26016): starting
11:55:48 (7156): 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
11:55:49 (7156): Library/usr/bin/tar.exe exited; CPU time 0.000000
11:55:49 (7156): 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
12:21:27 (7156): C:/Windows/system32/cmd.exe exited; CPU time 1436.218750
12:21:27 (7156): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 bytes in 6 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: 25222167 bytes.
Dumping objects ->
{3835266} normal block at 0x000001E6EB3AAC80, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835255} normal block at 0x000001E6EB3AA430, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835244} normal block at 0x000001E6E9736000, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835233} normal block at 0x000001E6E9735F90, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835222} normal block at 0x000001E6E9735E40, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835191} normal block at 0x000001E6EB3B5A90, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
..\api\boinc_api.cpp(309) : {3835178} normal block at 0x000001E6E972EE90, 8 bytes long.
 Data: <  p&#233;&#230;   > 00 00 70 E9 E6 01 00 00 
{3833965} normal block at 0x000001E6E972ECB0, 8 bytes long.
 Data: < &#234; &#233;&#230;   > 20 EA 80 E9 E6 01 00 00 
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x000001E6E972FBD0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000001E6E9727640, 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 0x000001E6E9736F70, 16 bytes long.
 Data: <x{s&#233;&#230;           > 78 7B 73 E9 E6 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001E6E9736B10, 16 bytes long.
 Data: <P{s&#233;&#230;           > 50 7B 73 E9 E6 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001E6E9731C20, 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 0x000001E6E9736A70, 16 bytes long.
 Data: <({s&#233;&#230;           > 28 7B 73 E9 E6 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001E6E9737290, 16 bytes long.
 Data: < {s&#233;&#230;           > 00 7B 73 E9 E6 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001E6E9737150, 16 bytes long.
 Data: <&#216;zs&#233;&#230;           > D8 7A 73 E9 E6 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001E6E9736E30, 16 bytes long.
 Data: <&#176;zs&#233;&#230;           > B0 7A 73 E9 E6 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001E6E9735F20, 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 0x000001E6E9736A20, 16 bytes long.
 Data: <8&#253;q&#233;&#230;           > 38 FD 71 E9 E6 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001E6E97311A0, 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 0x000001E6E9737600, 16 bytes long.
 Data: < &#253;q&#233;&#230;           > 10 FD 71 E9 E6 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001E6E9736930, 16 bytes long.
 Data: <&#232;&#252;q&#233;&#230;           > E8 FC 71 E9 E6 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001E6E9736F20, 16 bytes long.
 Data: <&#192;&#252;q&#233;&#230;           > C0 FC 71 E9 E6 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001E6E97376A0, 16 bytes long.
 Data: < &#252;q&#233;&#230;           > 98 FC 71 E9 E6 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001E6E9736980, 16 bytes long.
 Data: <p&#252;q&#233;&#230;           > 70 FC 71 E9 E6 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001E6E9737330, 16 bytes long.
 Data: <H&#252;q&#233;&#230;           > 48 FC 71 E9 E6 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001E6E9731920, 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 0x000001E6E9736ED0, 16 bytes long.
 Data: < &#252;q&#233;&#230;           > 20 FC 71 E9 E6 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001E6E971FC20, 320 bytes long.
 Data: <&#208;ns&#233;&#230;     s&#233;&#230;   > D0 6E 73 E9 E6 01 00 00 20 19 73 E9 E6 01 00 00 
{278} normal block at 0x000001E6E9737790, 16 bytes long.
 Data: < zs&#233;&#230;           > 90 7A 73 E9 E6 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001E6E97373D0, 16 bytes long.
 Data: <hzs&#233;&#230;           > 68 7A 73 E9 E6 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001E6E9730EA0, 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 0x000001E6E9737650, 16 bytes long.
 Data: <@zs&#233;&#230;           > 40 7A 73 E9 E6 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001E6E9730DE0, 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 0x000001E6E9736AC0, 16 bytes long.
 Data: < ys&#233;&#230;           > 88 79 73 E9 E6 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001E6E9736D90, 16 bytes long.
 Data: <`ys&#233;&#230;           > 60 79 73 E9 E6 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001E6E9737740, 16 bytes long.
 Data: <8ys&#233;&#230;           > 38 79 73 E9 E6 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001E6E9737510, 16 bytes long.
 Data: < ys&#233;&#230;           > 10 79 73 E9 E6 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001E6E97376F0, 16 bytes long.
 Data: <&#232;xs&#233;&#230;           > E8 78 73 E9 E6 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001E6E97368E0, 16 bytes long.
 Data: <&#192;xs&#233;&#230;           > C0 78 73 E9 E6 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001E6E9736BB0, 16 bytes long.
 Data: <p`s&#233;&#230;           > 70 60 73 E9 E6 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001E6E9736070, 40 bytes long.
 Data: <&#176;ks&#233;&#230;    Z;&#235;&#230;   > B0 6B 73 E9 E6 01 00 00 90 5A 3B EB E6 01 00 00 
{264} normal block at 0x000001E6E9736890, 16 bytes long.
 Data: <&#160;xs&#233;&#230;           > A0 78 73 E9 E6 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001E6E9737380, 16 bytes long.
 Data: <xxs&#233;&#230;           > 78 78 73 E9 E6 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001E6E9731200, 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 0x000001E6E97371F0, 16 bytes long.
 Data: <Pxs&#233;&#230;           > 50 78 73 E9 E6 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001E6E9737850, 992 bytes long.
 Data: <&#240;qs&#233;&#230;     s&#233;&#230;   > F0 71 73 E9 E6 01 00 00 00 12 73 E9 E6 01 00 00 
{96} normal block at 0x000001E6E9730F60, 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 0x000001E6E972E490, 16 bytes long.
 Data: <P&#209;q&#233;&#230;           > 50 D1 71 E9 E6 01 00 00 00 00 00 00 00 00 00 00 
{94} normal block at 0x000001E6E971D150, 40 bytes long.
 Data: < &#228;r&#233;&#230;   ` s&#233;&#230;   > 90 E4 72 E9 E6 01 00 00 60 0F 73 E9 E6 01 00 00 
{73} normal block at 0x000001E6E972EB70, 16 bytes long.
 Data: < &#234;&#172;&#222;&#247;           > 80 EA AC DE F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000001E6E972E210, 16 bytes long.
 Data: <@&#233;&#172;&#222;&#247;           > 40 E9 AC DE F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001E6E972E8A0, 16 bytes long.
 Data: <&#248;W&#169;&#222;&#247;           > F8 57 A9 DE F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001E6E972E3A0, 16 bytes long.
 Data: <&#216;W&#169;&#222;&#247;           > D8 57 A9 DE F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001E6E972EE40, 16 bytes long.
 Data: <P &#169;&#222;&#247;           > 50 04 A9 DE F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001E6E972E0D0, 16 bytes long.
 Data: <0 &#169;&#222;&#247;           > 30 04 A9 DE F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001E6E972E350, 16 bytes long.
 Data: <&#224; &#169;&#222;&#247;           > E0 02 A9 DE F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001E6E972E080, 16 bytes long.
 Data: <  &#169;&#222;&#247;           > 10 04 A9 DE F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001E6E972E3F0, 16 bytes long.
 Data: <p &#169;&#222;&#247;           > 70 04 A9 DE F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001E6E972E4E0, 16 bytes long.
 Data: < &#192;&#167;&#222;&#247;           > 18 C0 A7 DE F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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