Task 38647786

Name test_668-GPUGRID_TEST_ATM_4STEP_20261023-0-4-RND6418_0
Workunit 31592513
Created 23 Oct 2026, 20:20:50 UTC
Sent 23 Oct 2026, 20:53:00 UTC
Report deadline 28 Oct 2026, 20:53:00 UTC
Received 23 Oct 2026, 21:18:58 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 629480
Run time 20 min 56 sec
CPU time 19 min 46 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 22,590.50 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 742.59 MB
Peak swap size 9.91 GB
Peak disk usage 2.97 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
15:57:48 (14100): wrapper (7.9.26016): starting
15:57:48 (14100): 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
15:57:49 (14100): Library/usr/bin/tar.exe exited; CPU time 0.015625
15:57:49 (14100): 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\1\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\1\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
16:17:48 (14100): C:/Windows/system32/cmd.exe exited; CPU time 1186.937500
16:17:48 (14100): 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: 25964891 bytes.
Dumping objects ->
{3835519} normal block at 0x0000020FFCC7F930, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835508} normal block at 0x0000020FFCC7F7E0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835497} normal block at 0x0000020FFCC7F5B0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835486} normal block at 0x0000020FFAF64820, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835475} normal block at 0x0000020FFAF64DD0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835444} normal block at 0x0000020FFCCF80F0, 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) : {3835431} normal block at 0x0000020FFAF5EB40, 8 bytes long.
 Data: <  D&#251;    > 00 00 44 FB 0F 02 00 00 
{3833959} normal block at 0x0000020FFAF5F360, 8 bytes long.
 Data: <0&#223;&#208;&#252;    > 30 DF D0 FC 0F 02 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x0000020FFAF61650, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000020FFAF56D50, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{295} normal block at 0x0000020FFAF658E0, 16 bytes long.
 Data: <Xh&#246;&#250;            > 58 68 F6 FA 0F 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000020FFAF66240, 16 bytes long.
 Data: <0h&#246;&#250;            > 30 68 F6 FA 0F 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000020FFAF60780, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{292} normal block at 0x0000020FFAF662E0, 16 bytes long.
 Data: < h&#246;&#250;            > 08 68 F6 FA 0F 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000020FFAF65660, 16 bytes long.
 Data: <&#224;g&#246;&#250;            > E0 67 F6 FA 0F 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000020FFAF661A0, 16 bytes long.
 Data: <&#184;g&#246;&#250;            > B8 67 F6 FA 0F 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000020FFAF65890, 16 bytes long.
 Data: < g&#246;&#250;            > 90 67 F6 FA 0F 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000020FFAF64BA0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{287} normal block at 0x0000020FFAF65E30, 16 bytes long.
 Data: <&#232;&#181;&#244;&#250;            > E8 B5 F4 FA 0F 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000020FFAF605A0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{285} normal block at 0x0000020FFAF65570, 16 bytes long.
 Data: <&#192;&#181;&#244;&#250;            > C0 B5 F4 FA 0F 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000020FFAF65F20, 16 bytes long.
 Data: < &#181;&#244;&#250;            > 98 B5 F4 FA 0F 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000020FFAF663D0, 16 bytes long.
 Data: <p&#181;&#244;&#250;            > 70 B5 F4 FA 0F 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000020FFAF66470, 16 bytes long.
 Data: <H&#181;&#244;&#250;            > 48 B5 F4 FA 0F 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000020FFAF65B60, 16 bytes long.
 Data: < &#181;&#244;&#250;            > 20 B5 F4 FA 0F 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000020FFAF66420, 16 bytes long.
 Data: <&#248;&#180;&#244;&#250;            > F8 B4 F4 FA 0F 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000020FFAF60060, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{277} normal block at 0x0000020FFAF65CA0, 16 bytes long.
 Data: <&#208;&#180;&#244;&#250;            > D0 B4 F4 FA 0F 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000020FFAF4B4D0, 320 bytes long.
 Data: <&#160;\&#246;&#250;    ` &#246;&#250;    > A0 5C F6 FA 0F 02 00 00 60 00 F6 FA 0F 02 00 00 
{275} normal block at 0x0000020FFAF66150, 16 bytes long.
 Data: <pg&#246;&#250;            > 70 67 F6 FA 0F 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000020FFAF65840, 16 bytes long.
 Data: <Hg&#246;&#250;            > 48 67 F6 FA 0F 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000020FFAF60000, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{272} normal block at 0x0000020FFAF65FC0, 16 bytes long.
 Data: < g&#246;&#250;            > 20 67 F6 FA 0F 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000020FFAF5F8E0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{270} normal block at 0x0000020FFAF65C00, 16 bytes long.
 Data: <hf&#246;&#250;            > 68 66 F6 FA 0F 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000020FFAF657F0, 16 bytes long.
 Data: <@f&#246;&#250;            > 40 66 F6 FA 0F 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000020FFAF66290, 16 bytes long.
 Data: < f&#246;&#250;            > 18 66 F6 FA 0F 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000020FFAF65F70, 16 bytes long.
 Data: <&#240;e&#246;&#250;            > F0 65 F6 FA 0F 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000020FFAF65610, 16 bytes long.
 Data: <&#200;e&#246;&#250;            > C8 65 F6 FA 0F 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000020FFAF661F0, 16 bytes long.
 Data: <&#160;e&#246;&#250;            > A0 65 F6 FA 0F 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000020FFAF65D90, 16 bytes long.
 Data: <@N&#246;&#250;            > 40 4E F6 FA 0F 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000020FFAF64E40, 40 bytes long.
 Data: < ]&#246;&#250;    &#240; &#207;&#252;    > 90 5D F6 FA 0F 02 00 00 F0 80 CF FC 0F 02 00 00 
{261} normal block at 0x0000020FFAF65CF0, 16 bytes long.
 Data: < e&#246;&#250;            > 80 65 F6 FA 0F 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000020FFAF65750, 16 bytes long.
 Data: <Xe&#246;&#250;            > 58 65 F6 FA 0F 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000020FFAF5FC40, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{258} normal block at 0x0000020FFAF66380, 16 bytes long.
 Data: <0e&#246;&#250;            > 30 65 F6 FA 0F 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000020FFAF66530, 992 bytes long.
 Data: < c&#246;&#250;    @&#252;&#245;&#250;    > 80 63 F6 FA 0F 02 00 00 40 FC F5 FA 0F 02 00 00 
{93} normal block at 0x0000020FFAF602A0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{92} normal block at 0x0000020FFAF5F720, 16 bytes long.
 Data: <0K&#246;&#250;            > 30 4B F6 FA 0F 02 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x0000020FFAF64B30, 40 bytes long.
 Data: < &#247;&#245;&#250;    &#160; &#246;&#250;    > 20 F7 F5 FA 0F 02 00 00 A0 02 F6 FA 0F 02 00 00 
{70} normal block at 0x0000020FFAF5EC30, 16 bytes long.
 Data: < &#234; &#160;&#247;           > 80 EA 16 A0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000020FFAF5E8C0, 16 bytes long.
 Data: <@&#233; &#160;&#247;           > 40 E9 16 A0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000020FFAF5F770, 16 bytes long.
 Data: <&#248;W &#160;&#247;           > F8 57 13 A0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000020FFAF5F630, 16 bytes long.
 Data: <&#216;W &#160;&#247;           > D8 57 13 A0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000020FFAF5EFF0, 16 bytes long.
 Data: <P  &#160;&#247;           > 50 04 13 A0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000020FFAF5F680, 16 bytes long.
 Data: <0  &#160;&#247;           > 30 04 13 A0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000020FFAF5EE60, 16 bytes long.
 Data: <&#224;  &#160;&#247;           > E0 02 13 A0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000020FFAF5EA50, 16 bytes long.
 Data: <   &#160;&#247;           > 10 04 13 A0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000020FFAF5ED70, 16 bytes long.
 Data: <p  &#160;&#247;           > 70 04 13 A0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000020FFAF5F090, 16 bytes long.
 Data: < &#192; &#160;&#247;           > 18 C0 11 A0 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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