Task 38677448

Name test_234-GPUGRID_TEST_ATM_40STEP_20261023-23-40-RND0676_0
Workunit 31619319
Created 26 Oct 2026, 14:22:48 UTC
Sent 26 Oct 2026, 14:22:50 UTC
Report deadline 31 Oct 2026, 14:22:50 UTC
Received 26 Oct 2026, 15:43:54 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 609955
Run time 37 min 51 sec
CPU time 30 min 49 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 759.41 MB
Peak swap size 9.95 GB
Peak disk usage 4.07 GB

Stderr output

<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
00:10:04 (22924): wrapper (7.9.26016): starting
00:10:04 (22924): 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
00:10:06 (22924): Library/usr/bin/tar.exe exited; CPU time 0.015625
00:10:06 (22924): 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:\BOINC\slots\18\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:\BOINC\slots\18\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
00:41:19 (22924): C:/Windows/system32/cmd.exe exited; CPU time 1849.468750
00:41:19 (22924): called boinc_finish(0)
0 bytes in 0 Free Blocks.
456 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: 35828427 bytes.
Dumping objects ->
{3835578} normal block at 0x00000152316050F0, 48 bytes long.
 Data: <PATH=D:\BOINC\sl> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835567} normal block at 0x00000152336D7BE0, 32 bytes long.
 Data: <HOME=D:\BOINC\sl> 48 4F 4D 45 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835556} normal block at 0x00000152336D7E20, 32 bytes long.
 Data: <TMP=D:\BOINC\slo> 54 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 6F 
{3835545} normal block at 0x00000152336D80C0, 32 bytes long.
 Data: <TEMP=D:\BOINC\sl> 54 45 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835534} normal block at 0x00000152336D7EE0, 32 bytes long.
 Data: <TMPDIR=D:\BOINC\> 54 4D 50 44 49 52 3D 44 3A 5C 42 4F 49 4E 43 5C 
{3835503} normal block at 0x00000152316056A0, 48 bytes long.
 Data: <PATH=D:\BOINC\sl> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835492} normal block at 0x000001523166A030, 140 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) : {3835489} normal block at 0x00000152315FF070, 8 bytes long.
 Data: <  &#169;1R   > 00 00 A9 31 52 01 00 00 
{3834767} normal block at 0x0000015231669F60, 140 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3834069} normal block at 0x00000152315FEDF0, 8 bytes long.
 Data: <P Y3R   > 50 EB 59 33 52 01 00 00 
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x00000152315F80B0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x00000152315EF7A0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{299} normal block at 0x0000015231606370, 16 bytes long.
 Data: <&#184;p`1R           > B8 70 60 31 52 01 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x00000152316065F0, 16 bytes long.
 Data: < p`1R           > 90 70 60 31 52 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000015231601660, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{296} normal block at 0x0000015231606000, 16 bytes long.
 Data: <hp`1R           > 68 70 60 31 52 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000015231606500, 16 bytes long.
 Data: <@p`1R           > 40 70 60 31 52 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000015231606320, 16 bytes long.
 Data: < p`1R           > 18 70 60 31 52 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000015231606960, 16 bytes long.
 Data: < o`1R           > F0 6F 60 31 52 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000152316052B0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{291} normal block at 0x0000015231606A50, 16 bytes long.
 Data: < &#167;_1R           > E8 A7 5F 31 52 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000015231600FA0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{289} normal block at 0x0000015231606A00, 16 bytes long.
 Data: <&#192;&#167;_1R           > C0 A7 5F 31 52 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000152316062D0, 16 bytes long.
 Data: < &#167;_1R           > 98 A7 5F 31 52 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000015231606BE0, 16 bytes long.
 Data: <p&#167;_1R           > 70 A7 5F 31 52 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000015231606280, 16 bytes long.
 Data: <H&#167;_1R           > 48 A7 5F 31 52 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000152316061E0, 16 bytes long.
 Data: < &#167;_1R           > 20 A7 5F 31 52 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000015231606C80, 16 bytes long.
 Data: < &#166;_1R           > F8 A6 5F 31 52 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000015231600F40, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{281} normal block at 0x00000152316065A0, 16 bytes long.
 Data: <&#208;&#166;_1R           > D0 A6 5F 31 52 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000152315FA6D0, 320 bytes long.
 Data: < e`1R   @ `1R   > A0 65 60 31 52 01 00 00 40 0F 60 31 52 01 00 00 
{279} normal block at 0x00000152316067D0, 16 bytes long.
 Data: <&#208;o`1R           > D0 6F 60 31 52 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000015231605FB0, 16 bytes long.
 Data: <&#168;o`1R           > A8 6F 60 31 52 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000152316018A0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{276} normal block at 0x0000015231606140, 16 bytes long.
 Data: < o`1R           > 80 6F 60 31 52 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000152316011E0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{274} normal block at 0x00000152316063C0, 16 bytes long.
 Data: <&#200;n`1R           > C8 6E 60 31 52 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000152316069B0, 16 bytes long.
 Data: < n`1R           > A0 6E 60 31 52 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000015231606B90, 16 bytes long.
 Data: <xn`1R           > 78 6E 60 31 52 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000015231605E70, 16 bytes long.
 Data: <Pn`1R           > 50 6E 60 31 52 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000015231606870, 16 bytes long.
 Data: <(n`1R           > 28 6E 60 31 52 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000015231606050, 16 bytes long.
 Data: < n`1R           > 00 6E 60 31 52 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000152316064B0, 16 bytes long.
 Data: <&#208;Q`1R           > D0 51 60 31 52 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000152316051D0, 40 bytes long.
 Data: <&#176;d`1R    V`1R   > B0 64 60 31 52 01 00 00 A0 56 60 31 52 01 00 00 
{265} normal block at 0x0000015231606690, 16 bytes long.
 Data: < m`1R           > E0 6D 60 31 52 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000015231606460, 16 bytes long.
 Data: <&#184;m`1R           > B8 6D 60 31 52 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000015231601060, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{262} normal block at 0x0000015231606820, 16 bytes long.
 Data: < m`1R           > 90 6D 60 31 52 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000015231606D90, 992 bytes long.
 Data: < h`1R   ` `1R   > 20 68 60 31 52 01 00 00 60 10 60 31 52 01 00 00 
{97} normal block at 0x0000015231601360, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{96} normal block at 0x00000152315FEF30, 16 bytes long.
 Data: <0&#203;^1R           > 30 CB 5E 31 52 01 00 00 00 00 00 00 00 00 00 00 
{95} normal block at 0x00000152315ECB30, 40 bytes long.
 Data: <0 _1R   ` `1R   > 30 EF 5F 31 52 01 00 00 60 13 60 31 52 01 00 00 
{72} normal block at 0x00000152315FF200, 16 bytes long.
 Data: <   &#215;            > 80 EA 94 D7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x00000152315FEE40, 16 bytes long.
 Data: <@  &#215;            > 40 E9 94 D7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000152315FF2F0, 16 bytes long.
 Data: < W &#215;            > F8 57 91 D7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000152315FE940, 16 bytes long.
 Data: <&#216;W &#215;            > D8 57 91 D7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000152315FEC60, 16 bytes long.
 Data: <P  &#215;            > 50 04 91 D7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000152315FEFD0, 16 bytes long.
 Data: <0  &#215;            > 30 04 91 D7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000152315FF1B0, 16 bytes long.
 Data: <   &#215;            > E0 02 91 D7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000152315FF890, 16 bytes long.
 Data: <   &#215;            > 10 04 91 D7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000152315FEB20, 16 bytes long.
 Data: <p  &#215;            > 70 04 91 D7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000152315FED50, 16 bytes long.
 Data: < &#192; &#215;            > 18 C0 8F D7 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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