Task 38688327

Name test_397-GPUGRID_TEST_ATM_40STEP_20261023-32-40-RND3663_0
Workunit 31629682
Created 28 Oct 2026, 13:08:59 UTC
Sent 28 Oct 2026, 13:09:02 UTC
Report deadline 2 Nov 2026, 13:09:02 UTC
Received 28 Oct 2026, 21:41:28 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 613000
Run time 1 hours 1 min 40 sec
CPU time 1 hours 1 min 40 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 3,094.79 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 608.17 MB
Peak swap size 2.17 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
21:07:46 (14244): wrapper (7.9.26016): starting
21:07:46 (14244): 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
21:08:04 (14244): Library/usr/bin/tar.exe exited; CPU time 0.046875
21:08:04 (14244): 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\3\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\3\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
23:02:10 (14244): C:/Windows/system32/cmd.exe exited; CPU time 3700.625000
23:02:10 (14244): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 bytes in 6 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: 128073801 bytes.
Dumping objects ->
{3835217} normal block at 0x00000273941A1090, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835206} normal block at 0x00000273941A1330, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835195} normal block at 0x00000273941A0B50, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835184} normal block at 0x00000273941A0840, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835173} normal block at 0x00000273941A0FB0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835142} normal block at 0x0000027394377790, 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) : {3835128} normal block at 0x0000027392758430, 8 bytes long.
 Data: <   &#148;s   > 00 00 1B 94 73 02 00 00 
{3833963} normal block at 0x00000273927579E0, 8 bytes long.
 Data: <@M@&#148;s   > 40 4D 40 94 73 02 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x0000027392764040, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000027392746A50, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{297} normal block at 0x0000027392765D00, 16 bytes long.
 Data: <Hqv&#146;s           > 48 71 76 92 73 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000027392765440, 16 bytes long.
 Data: < qv&#146;s           > 20 71 76 92 73 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002739275CF50, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{294} normal block at 0x0000027392765120, 16 bytes long.
 Data: <&#248;pv&#146;s           > F8 70 76 92 73 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000273927656C0, 16 bytes long.
 Data: <&#208;pv&#146;s           > D0 70 76 92 73 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000273927650D0, 16 bytes long.
 Data: <&#168;pv&#146;s           > A8 70 76 92 73 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000273927658F0, 16 bytes long.
 Data: < pv&#146;s           > 80 70 76 92 73 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002739275DA80, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{289} normal block at 0x00000273927653F0, 16 bytes long.
 Data: <&#232;it&#146;s           > E8 69 74 92 73 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002739275CD70, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{287} normal block at 0x0000027392765670, 16 bytes long.
 Data: <&#192;it&#146;s           > C0 69 74 92 73 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000027392764F90, 16 bytes long.
 Data: < it&#146;s           > 98 69 74 92 73 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000027392765260, 16 bytes long.
 Data: <pit&#146;s           > 70 69 74 92 73 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000027392765080, 16 bytes long.
 Data: <Hit&#146;s           > 48 69 74 92 73 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000273927655D0, 16 bytes long.
 Data: < it&#146;s           > 20 69 74 92 73 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000273927659E0, 16 bytes long.
 Data: <&#248;ht&#146;s           > F8 68 74 92 73 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002739275C9B0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{279} normal block at 0x0000027392765030, 16 bytes long.
 Data: <&#208;ht&#146;s           > D0 68 74 92 73 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000273927468D0, 320 bytes long.
 Data: <0Pv&#146;s   &#176;&#201;u&#146;s   > 30 50 76 92 73 02 00 00 B0 C9 75 92 73 02 00 00 
{277} normal block at 0x0000027392765210, 16 bytes long.
 Data: <`pv&#146;s           > 60 70 76 92 73 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000027392765CB0, 16 bytes long.
 Data: <8pv&#146;s           > 38 70 76 92 73 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002739275C8F0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{274} normal block at 0x0000027392765B20, 16 bytes long.
 Data: < pv&#146;s           > 10 70 76 92 73 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002739275CCB0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{272} normal block at 0x0000027392764FE0, 16 bytes long.
 Data: <Xov&#146;s           > 58 6F 76 92 73 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000027392765490, 16 bytes long.
 Data: <0ov&#146;s           > 30 6F 76 92 73 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000027392765A30, 16 bytes long.
 Data: < ov&#146;s           > 08 6F 76 92 73 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000027392764EF0, 16 bytes long.
 Data: <&#224;nv&#146;s           > E0 6E 76 92 73 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000027392765AD0, 16 bytes long.
 Data: <&#184;nv&#146;s           > B8 6E 76 92 73 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000027392765300, 16 bytes long.
 Data: < nv&#146;s           > 90 6E 76 92 73 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000273927651C0, 16 bytes long.
 Data: <p&#215;u&#146;s           > 70 D7 75 92 73 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002739275D770, 40 bytes long.
 Data: <&#192;Qv&#146;s    w7&#148;s   > C0 51 76 92 73 02 00 00 90 77 37 94 73 02 00 00 
{263} normal block at 0x00000273927653A0, 16 bytes long.
 Data: <pnv&#146;s           > 70 6E 76 92 73 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000027392765800, 16 bytes long.
 Data: <Hnv&#146;s           > 48 6E 76 92 73 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002739275C830, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{260} normal block at 0x0000027392764EA0, 16 bytes long.
 Data: < nv&#146;s           > 20 6E 76 92 73 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000027392766E20, 992 bytes long.
 Data: <&#160;Nv&#146;s   0&#200;u&#146;s   > A0 4E 76 92 73 02 00 00 30 C8 75 92 73 02 00 00 
{95} normal block at 0x000002739275CB90, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{94} normal block at 0x0000027392757B70, 16 bytes long.
 Data: <&#224;&#215;u&#146;s           > E0 D7 75 92 73 02 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x000002739275D7E0, 40 bytes long.
 Data: <p{u&#146;s    &#203;u&#146;s   > 70 7B 75 92 73 02 00 00 90 CB 75 92 73 02 00 00 
{72} normal block at 0x0000027392757C60, 16 bytes long.
 Data: < &#234;w9&#246;           > 80 EA 77 39 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x00000273927582F0, 16 bytes long.
 Data: <@&#233;w9&#246;           > 40 E9 77 39 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000027392757AD0, 16 bytes long.
 Data: <&#248;Wt9&#246;           > F8 57 74 39 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000027392757B20, 16 bytes long.
 Data: <&#216;Wt9&#246;           > D8 57 74 39 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000027392758200, 16 bytes long.
 Data: <P t9&#246;           > 50 04 74 39 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000027392758110, 16 bytes long.
 Data: <0 t9&#246;           > 30 04 74 39 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000027392757A80, 16 bytes long.
 Data: <&#224; t9&#246;           > E0 02 74 39 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000273927582A0, 16 bytes long.
 Data: <  t9&#246;           > 10 04 74 39 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000027392757FD0, 16 bytes long.
 Data: <p t9&#246;           > 70 04 74 39 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000273927585C0, 16 bytes long.
 Data: < &#192;r9&#246;           > 18 C0 72 39 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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