Task 38697864

Name test_359-GPUGRID_TEST_ATM_40STEP_20261023-39-40-RND2870_0
Workunit 31638411
Created 1 Nov 2026, 22:56:10 UTC
Sent 1 Nov 2026, 22:56:12 UTC
Report deadline 6 Nov 2026, 22:56:12 UTC
Received 2 Nov 2026, 0:07:16 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 618370
Run time 37 min
CPU time 34 min 5 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 85,528.11 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 750.53 MB
Peak swap size 13.15 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
23:30:46 (54116): wrapper (7.9.26016): starting
23:30:46 (54116): 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
23:30:47 (54116): Library/usr/bin/tar.exe exited; CPU time 0.000000
23:30:47 (54116): 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 'D:\ProgramData\BOINC\slots\2\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 'D:\ProgramData\BOINC\slots\2\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
00:06:49 (54116): C:/Windows/system32/cmd.exe exited; CPU time 2045.171875
00:06:49 (54116): called boinc_finish(0)
0 bytes in 0 Free Blocks.
426 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: 45001116 bytes.
Dumping objects ->
{3835226} normal block at 0x0000019DFCF8F9A0, 48 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835215} normal block at 0x0000019DFB374C40, 48 bytes long.
 Data: <HOME=D:\ProgramD> 48 4F 4D 45 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835204} normal block at 0x0000019DFB374E70, 48 bytes long.
 Data: <TMP=D:\ProgramDa> 54 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835193} normal block at 0x0000019DFB374A80, 48 bytes long.
 Data: <TEMP=D:\ProgramD> 54 45 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835182} normal block at 0x0000019DFB374930, 48 bytes long.
 Data: <TMPDIR=D:\Progra> 54 4D 50 44 49 52 3D 44 3A 5C 50 72 6F 67 72 61 
{3835151} normal block at 0x0000019DFD0080A0, 64 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835140} normal block at 0x0000019DFD01DD80, 85 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) : {3835137} normal block at 0x0000019DFB36F300, 8 bytes long.
 Data: <   &#251;    > 00 00 8D FB 9D 01 00 00 
{3834542} normal block at 0x0000019DFD01DC40, 85 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 0x0000019DFB36EEA0, 8 bytes long.
 Data: <@\ &#253;    > 40 5C 06 FD 9D 01 00 00 
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x0000019DFB3712D0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x0000019DFB366450, 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 0x0000019DFB3755E0, 16 bytes long.
 Data: <(h7&#251;            > 28 68 37 FB 9D 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000019DFB375590, 16 bytes long.
 Data: < h7&#251;            > 00 68 37 FB 9D 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000019DFB370120, 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 0x0000019DFB3758B0, 16 bytes long.
 Data: <&#216;g7&#251;            > D8 67 37 FB 9D 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000019DFB3763A0, 16 bytes long.
 Data: <&#176;g7&#251;            > B0 67 37 FB 9D 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000019DFB375A40, 16 bytes long.
 Data: < g7&#251;            > 88 67 37 FB 9D 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000019DFB375FE0, 16 bytes long.
 Data: <`g7&#251;            > 60 67 37 FB 9D 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000019DFB374D20, 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 0x0000019DFB375F90, 16 bytes long.
 Data: <&#232;&#231;6&#251;            > E8 E7 36 FB 9D 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000019DFB370420, 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 0x0000019DFB375EF0, 16 bytes long.
 Data: <&#192;&#231;6&#251;            > C0 E7 36 FB 9D 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000019DFB375680, 16 bytes long.
 Data: < &#231;6&#251;            > 98 E7 36 FB 9D 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000019DFB375950, 16 bytes long.
 Data: <p&#231;6&#251;            > 70 E7 36 FB 9D 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000019DFB376210, 16 bytes long.
 Data: <H&#231;6&#251;            > 48 E7 36 FB 9D 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000019DFB375B80, 16 bytes long.
 Data: < &#231;6&#251;            > 20 E7 36 FB 9D 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000019DFB3761C0, 16 bytes long.
 Data: <&#248;&#230;6&#251;            > F8 E6 36 FB 9D 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000019DFB3703C0, 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 0x0000019DFB375AE0, 16 bytes long.
 Data: <&#208;&#230;6&#251;            > D0 E6 36 FB 9D 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000019DFB36E6D0, 320 bytes long.
 Data: <&#224;Z7&#251;    &#192; 7&#251;    > E0 5A 37 FB 9D 01 00 00 C0 03 37 FB 9D 01 00 00 
{278} normal block at 0x0000019DFB375EA0, 16 bytes long.
 Data: <@g7&#251;            > 40 67 37 FB 9D 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000019DFB3756D0, 16 bytes long.
 Data: < g7&#251;            > 18 67 37 FB 9D 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000019DFB370360, 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 0x0000019DFB375540, 16 bytes long.
 Data: <&#240;f7&#251;            > F0 66 37 FB 9D 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000019DFB36FA00, 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 0x0000019DFB375E00, 16 bytes long.
 Data: <8f7&#251;            > 38 66 37 FB 9D 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000019DFB375D10, 16 bytes long.
 Data: < f7&#251;            > 10 66 37 FB 9D 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000019DFB375F40, 16 bytes long.
 Data: <&#232;e7&#251;            > E8 65 37 FB 9D 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000019DFB375E50, 16 bytes long.
 Data: <&#192;e7&#251;            > C0 65 37 FB 9D 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000019DFB375BD0, 16 bytes long.
 Data: < e7&#251;            > 98 65 37 FB 9D 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000019DFB375DB0, 16 bytes long.
 Data: <pe7&#251;            > 70 65 37 FB 9D 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000019DFB375D60, 16 bytes long.
 Data: <&#240;J7&#251;            > F0 4A 37 FB 9D 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000019DFB374AF0, 40 bytes long.
 Data: <`]7&#251;    &#160;  &#253;    > 60 5D 37 FB 9D 01 00 00 A0 80 00 FD 9D 01 00 00 
{264} normal block at 0x0000019DFB376170, 16 bytes long.
 Data: <Pe7&#251;            > 50 65 37 FB 9D 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000019DFB375B30, 16 bytes long.
 Data: <(e7&#251;            > 28 65 37 FB 9D 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000019DFB370600, 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 0x0000019DFB375CC0, 16 bytes long.
 Data: < e7&#251;            > 00 65 37 FB 9D 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000019DFB376500, 992 bytes long.
 Data: <&#192;\7&#251;      7&#251;    > C0 5C 37 FB 9D 01 00 00 00 06 37 FB 9D 01 00 00 
{96} normal block at 0x0000019DFB370780, 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 0x0000019DFB36F580, 16 bytes long.
 Data: <&#192;&#240;5&#251;            > C0 F0 35 FB 9D 01 00 00 00 00 00 00 00 00 00 00 
{94} normal block at 0x0000019DFB35F0C0, 40 bytes long.
 Data: < &#245;6&#251;      7&#251;    > 80 F5 36 FB 9D 01 00 00 80 07 37 FB 9D 01 00 00 
{73} normal block at 0x0000019DFB36F3A0, 16 bytes long.
 Data: < &#234;&#232;Z&#247;           > 80 EA E8 5A F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x0000019DFB36F1C0, 16 bytes long.
 Data: <@&#233;&#232;Z&#247;           > 40 E9 E8 5A F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000019DFB36F710, 16 bytes long.
 Data: <&#248;W&#229;Z&#247;           > F8 57 E5 5A F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000019DFB36EEF0, 16 bytes long.
 Data: <&#216;W&#229;Z&#247;           > D8 57 E5 5A F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000019DFB36F800, 16 bytes long.
 Data: <P &#229;Z&#247;           > 50 04 E5 5A F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000019DFB36F6C0, 16 bytes long.
 Data: <0 &#229;Z&#247;           > 30 04 E5 5A F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000019DFB36F120, 16 bytes long.
 Data: <&#224; &#229;Z&#247;           > E0 02 E5 5A F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000019DFB36F760, 16 bytes long.
 Data: <  &#229;Z&#247;           > 10 04 E5 5A F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000019DFB36F490, 16 bytes long.
 Data: <p &#229;Z&#247;           > 70 04 E5 5A F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000019DFB36EE50, 16 bytes long.
 Data: < &#192;&#227;Z&#247;           > 18 C0 E3 5A F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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