Task 38678262

Name test_298-GPUGRID_TEST_ATM_40STEP_20261023-23-40-RND8529_0
Workunit 31620091
Created 26 Oct 2026, 16:52:51 UTC
Sent 26 Oct 2026, 16:52:53 UTC
Report deadline 31 Oct 2026, 16:52:53 UTC
Received 26 Oct 2026, 17:50:12 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 517637
Run time 44 min 29 sec
CPU time 43 min 56 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 5,030.17 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 718.59 MB
Peak swap size 9.74 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
17:55:35 (18808): wrapper (7.9.26016): starting
17:55:35 (18808): 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
17:55:37 (18808): Library/usr/bin/tar.exe exited; CPU time 0.000000
17:55:37 (18808): 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\22\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\22\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
18:48:29 (18808): C:/Windows/system32/cmd.exe exited; CPU time 2636.296875
18:48:29 (18808): 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: 51440997 bytes.
Dumping objects ->
{3835363} normal block at 0x000002205F8AB5A0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835352} normal block at 0x000002205F8AB8B0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835341} normal block at 0x000002205F885070, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835330} normal block at 0x000002205F885000, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835319} normal block at 0x000002205F884EB0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835288} normal block at 0x00000220615F8440, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835277} normal block at 0x00000220616493C0, 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) : {3835274} normal block at 0x000002205F87EE60, 8 bytes long.
 Data: <  &#197;_    > 00 00 C5 5F 20 02 00 00 
{3834606} normal block at 0x0000022061648810, 102 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 0x000002205F87ECD0, 8 bytes long.
 Data: <`Jha    > 60 4A 68 61 20 02 00 00 
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x000002205F881380, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000002205F8763F0, 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 0x000002205F885870, 16 bytes long.
 Data: <&#216;h _            > D8 68 88 5F 20 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000002205F886180, 16 bytes long.
 Data: <&#176;h _            > B0 68 88 5F 20 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000002205F880830, 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 0x000002205F885820, 16 bytes long.
 Data: < h _            > 88 68 88 5F 20 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000002205F8857D0, 16 bytes long.
 Data: <`h _            > 60 68 88 5F 20 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002205F8855F0, 16 bytes long.
 Data: <8h _            > 38 68 88 5F 20 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002205F886130, 16 bytes long.
 Data: < h _            > 10 68 88 5F 20 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002205F884BA0, 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 0x000002205F8864A0, 16 bytes long.
 Data: < &#232;&#135;_            > 18 E8 87 5F 20 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002205F880290, 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 0x000002205F885780, 16 bytes long.
 Data: <&#240;&#231;&#135;_            > F0 E7 87 5F 20 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002205F885690, 16 bytes long.
 Data: <&#200;&#231;&#135;_            > C8 E7 87 5F 20 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002205F885910, 16 bytes long.
 Data: <&#160;&#231;&#135;_            > A0 E7 87 5F 20 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002205F886040, 16 bytes long.
 Data: <x&#231;&#135;_            > 78 E7 87 5F 20 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002205F885FA0, 16 bytes long.
 Data: <P&#231;&#135;_            > 50 E7 87 5F 20 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002205F885C80, 16 bytes long.
 Data: <(&#231;&#135;_            > 28 E7 87 5F 20 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002205F87FDB0, 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 0x000002205F885A00, 16 bytes long.
 Data: < &#231;&#135;_            > 00 E7 87 5F 20 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002205F87E700, 320 bytes long.
 Data: < Z _    &#176;&#253;&#135;_    > 00 5A 88 5F 20 02 00 00 B0 FD 87 5F 20 02 00 00 
{278} normal block at 0x000002205F885FF0, 16 bytes long.
 Data: <&#240;g _            > F0 67 88 5F 20 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002205F886540, 16 bytes long.
 Data: <&#200;g _            > C8 67 88 5F 20 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002205F880650, 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 0x000002205F885F50, 16 bytes long.
 Data: <&#160;g _            > A0 67 88 5F 20 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002205F880710, 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 0x000002205F886360, 16 bytes long.
 Data: <&#232;f _            > E8 66 88 5F 20 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002205F8859B0, 16 bytes long.
 Data: <&#192;f _            > C0 66 88 5F 20 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002205F885730, 16 bytes long.
 Data: < f _            > 98 66 88 5F 20 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002205F886310, 16 bytes long.
 Data: <pf _            > 70 66 88 5F 20 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002205F886090, 16 bytes long.
 Data: <Hf _            > 48 66 88 5F 20 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002205F886270, 16 bytes long.
 Data: < f _            > 20 66 88 5F 20 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002205F885F00, 16 bytes long.
 Data: <&#240;L _            > F0 4C 88 5F 20 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002205F884CF0, 40 bytes long.
 Data: < _ _    @&#132;_a    > 00 5F 88 5F 20 02 00 00 40 84 5F 61 20 02 00 00 
{264} normal block at 0x000002205F885E60, 16 bytes long.
 Data: < f _            > 00 66 88 5F 20 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002205F885AA0, 16 bytes long.
 Data: <&#216;e _            > D8 65 88 5F 20 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002205F87FD50, 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 0x000002205F885E10, 16 bytes long.
 Data: <&#176;e _            > B0 65 88 5F 20 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000002205F8865B0, 992 bytes long.
 Data: < ^ _    P&#253;&#135;_    > 10 5E 88 5F 20 02 00 00 50 FD 87 5F 20 02 00 00 
{96} normal block at 0x000002205F87FFF0, 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 0x000002205F87F630, 16 bytes long.
 Data: < &#241;&#134;_            > 10 F1 86 5F 20 02 00 00 00 00 00 00 00 00 00 00 
{94} normal block at 0x000002205F86F110, 40 bytes long.
 Data: <0&#246;&#135;_    &#240;&#255;&#135;_    > 30 F6 87 5F 20 02 00 00 F0 FF 87 5F 20 02 00 00 
{73} normal block at 0x000002205F87F8B0, 16 bytes long.
 Data: < &#234;&#217;*&#246;           > 80 EA D9 2A F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000002205F87F090, 16 bytes long.
 Data: <@&#233;&#217;*&#246;           > 40 E9 D9 2A F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000002205F87F810, 16 bytes long.
 Data: <&#248;W&#214;*&#246;           > F8 57 D6 2A F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002205F87EB90, 16 bytes long.
 Data: <&#216;W&#214;*&#246;           > D8 57 D6 2A F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002205F87F040, 16 bytes long.
 Data: <P &#214;*&#246;           > 50 04 D6 2A F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002205F87EE10, 16 bytes long.
 Data: <0 &#214;*&#246;           > 30 04 D6 2A F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002205F87F860, 16 bytes long.
 Data: <&#224; &#214;*&#246;           > E0 02 D6 2A F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002205F87F4F0, 16 bytes long.
 Data: <  &#214;*&#246;           > 10 04 D6 2A F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002205F87ED70, 16 bytes long.
 Data: <p &#214;*&#246;           > 70 04 D6 2A F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002205F87ED20, 16 bytes long.
 Data: < &#192;&#212;*&#246;           > 18 C0 D4 2A F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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