Task 38661662

Name test_706-GPUGRID_TEST_ATM_40STEP_20261023-6-40-RND2434_0
Workunit 31605055
Created 24 Oct 2026, 16:05:49 UTC
Sent 24 Oct 2026, 16:12:43 UTC
Report deadline 29 Oct 2026, 16:12:43 UTC
Received 24 Oct 2026, 19:45:39 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 494803
Run time 28 min 53 sec
CPU time 26 min 42 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 12,067.36 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 669.07 MB
Peak swap size 3.80 GB
Peak disk usage 3.02 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
18:44:45 (3160): wrapper (7.9.26016): starting
18:44:45 (3160): 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
18:44:46 (3160): Library/usr/bin/tar.exe exited; CPU time 0.000000
18:44:46 (3160): 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 'E:\BOINC\slots\8\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 'E:\BOINC\slots\8\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
19:12:35 (3160): C:/Windows/system32/cmd.exe exited; CPU time 1602.468750
19:12:35 (3160): called boinc_finish(0)
0 bytes in 0 Free Blocks.
176 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: 28974555 bytes.
Dumping objects ->
{3835522} normal block at 0x0000020290247E20, 48 bytes long.
 Data: <PATH=E:\BOINC\sl> 50 41 54 48 3D 45 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835511} normal block at 0x0000020291E17290, 32 bytes long.
 Data: <HOME=E:\BOINC\sl> 48 4F 4D 45 3D 45 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835500} normal block at 0x0000020291E16E10, 32 bytes long.
 Data: <TMP=E:\BOINC\slo> 54 4D 50 3D 45 3A 5C 42 4F 49 4E 43 5C 73 6C 6F 
{3835489} normal block at 0x0000020291E17230, 32 bytes long.
 Data: <TEMP=E:\BOINC\sl> 54 45 4D 50 3D 45 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835478} normal block at 0x0000020291E16D50, 32 bytes long.
 Data: <TMPDIR=E:\BOINC\> 54 4D 50 44 49 52 3D 45 3A 5C 42 4F 49 4E 43 5C 
{3835447} normal block at 0x00000202902472C0, 48 bytes long.
 Data: <PATH=E:\BOINC\sl> 50 41 54 48 3D 45 3A 5C 42 4F 49 4E 43 5C 73 6C 
..\api\boinc_api.cpp(309) : {3835434} normal block at 0x0000020290216AA0, 8 bytes long.
 Data: <        > 00 00 1F 90 02 02 00 00 
{3833955} normal block at 0x0000020290217770, 8 bytes long.
 Data: <`&#235;&#205;&#145;    > 60 EB CD 91 02 02 00 00 
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x0000020290222CF0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000020290205F40, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{293} normal block at 0x00000202902249B0, 16 bytes long.
 Data: <&#232;M"             > E8 4D 22 90 02 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000020290223CE0, 16 bytes long.
 Data: <&#192;M"             > C0 4D 22 90 02 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002029021B8E0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{290} normal block at 0x0000020290224910, 16 bytes long.
 Data: < M"             > 98 4D 22 90 02 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000202902245F0, 16 bytes long.
 Data: <pM"             > 70 4D 22 90 02 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000202902245A0, 16 bytes long.
 Data: <HM"             > 48 4D 22 90 02 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000202902243C0, 16 bytes long.
 Data: < M"             > 20 4D 22 90 02 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002029021D700, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{285} normal block at 0x0000020290224320, 16 bytes long.
 Data: <&#216;^              > D8 5E 20 90 02 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002029021BA60, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{283} normal block at 0x00000202902241E0, 16 bytes long.
 Data: <&#176;^              > B0 5E 20 90 02 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000020290224000, 16 bytes long.
 Data: < ^              > 88 5E 20 90 02 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000020290224370, 16 bytes long.
 Data: <`^              > 60 5E 20 90 02 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000020290224730, 16 bytes long.
 Data: <8^              > 38 5E 20 90 02 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000020290224820, 16 bytes long.
 Data: < ^              > 10 5E 20 90 02 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000020290224780, 16 bytes long.
 Data: <&#232;]              > E8 5D 20 90 02 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002029021C6C0, 32 bytes long.
 Data: <CUDA_DEVICE=1 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 31 00 50 55 
{275} normal block at 0x0000020290223FB0, 16 bytes long.
 Data: <&#192;]              > C0 5D 20 90 02 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000020290205DC0, 320 bytes long.
 Data: <&#176;?"     &#192;&#198;!     > B0 3F 22 90 02 02 00 00 C0 C6 21 90 02 02 00 00 
{273} normal block at 0x0000020290224460, 16 bytes long.
 Data: < M"             > 00 4D 22 90 02 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000202902240A0, 16 bytes long.
 Data: <&#216;L"             > D8 4C 22 90 02 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002029021C660, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{270} normal block at 0x00000202902246E0, 16 bytes long.
 Data: <&#176;L"             > B0 4C 22 90 02 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002029021C5A0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{268} normal block at 0x00000202902244B0, 16 bytes long.
 Data: <&#248;K"             > F8 4B 22 90 02 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000020290224230, 16 bytes long.
 Data: <&#208;K"             > D0 4B 22 90 02 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000020290223DD0, 16 bytes long.
 Data: <&#168;K"             > A8 4B 22 90 02 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000020290223B00, 16 bytes long.
 Data: < K"             > 80 4B 22 90 02 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000020290224550, 16 bytes long.
 Data: <XK"             > 58 4B 22 90 02 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000020290224690, 16 bytes long.
 Data: <0K"             > 30 4B 22 90 02 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000020290224960, 16 bytes long.
 Data: <&#160;&#217;!             > A0 D9 21 90 02 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000002029021D9A0, 40 bytes long.
 Data: <`I"     &#192;r$     > 60 49 22 90 02 02 00 00 C0 72 24 90 02 02 00 00 
{259} normal block at 0x0000020290223F10, 16 bytes long.
 Data: < K"             > 10 4B 22 90 02 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000020290224870, 16 bytes long.
 Data: <&#232;J"             > E8 4A 22 90 02 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000002029021BDC0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{256} normal block at 0x00000202902247D0, 16 bytes long.
 Data: <&#192;J"             > C0 4A 22 90 02 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000020290224AC0, 992 bytes long.
 Data: <&#208;G"     &#192;&#189;!     > D0 47 22 90 02 02 00 00 C0 BD 21 90 02 02 00 00 
{91} normal block at 0x000002029021C180, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{90} normal block at 0x0000020290217720, 16 bytes long.
 Data: < &#214;!             > 20 D6 21 90 02 02 00 00 00 00 00 00 00 00 00 00 
{89} normal block at 0x000002029021D620, 40 bytes long.
 Data: < w!      &#193;!     > 20 77 21 90 02 02 00 00 80 C1 21 90 02 02 00 00 
{68} normal block at 0x00000202902178B0, 16 bytes long.
 Data: < &#234; &#225;&#246;           > 80 EA 0D E1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000020290216EB0, 16 bytes long.
 Data: <@&#233; &#225;&#246;           > 40 E9 0D E1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000202902170E0, 16 bytes long.
 Data: <&#248;W &#225;&#246;           > F8 57 0A E1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000020290216AF0, 16 bytes long.
 Data: <&#216;W &#225;&#246;           > D8 57 0A E1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000020290216A50, 16 bytes long.
 Data: <P  &#225;&#246;           > 50 04 0A E1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000020290217860, 16 bytes long.
 Data: <0  &#225;&#246;           > 30 04 0A E1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000020290217450, 16 bytes long.
 Data: <&#224;  &#225;&#246;           > E0 02 0A E1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000202902173B0, 16 bytes long.
 Data: <   &#225;&#246;           > 10 04 0A E1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000020290217810, 16 bytes long.
 Data: <p  &#225;&#246;           > 70 04 0A E1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000020290216E60, 16 bytes long.
 Data: < &#192; &#225;&#246;           > 18 C0 08 E1 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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