Task 38669109

Name test_354-GPUGRID_TEST_ATM_40STEP_20261023-14-40-RND9101_0
Workunit 31611499
Created 25 Oct 2026, 13:40:05 UTC
Sent 25 Oct 2026, 13:40:12 UTC
Report deadline 30 Oct 2026, 13:40:12 UTC
Received 25 Oct 2026, 15:10:59 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654625
Run time 28 min 41 sec
CPU time 27 min 2 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 21,553.70 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 714.26 MB
Peak swap size 9.92 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
14:43:13 (17184): wrapper (7.9.26016): starting
14:43:13 (17184): 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
14:43:15 (17184): Library/usr/bin/tar.exe exited; CPU time 0.015625
14:43:15 (17184): 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:\Applications\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:\Applications\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
15:10:19 (17184): C:/Windows/system32/cmd.exe exited; CPU time 1622.078125
15:10:19 (17184): 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: 32276095 bytes.
Dumping objects ->
{3835581} normal block at 0x0000018526C35700, 48 bytes long.
 Data: <PATH=D:\Applicat> 50 41 54 48 3D 44 3A 5C 41 70 70 6C 69 63 61 74 
{3835570} normal block at 0x0000018526C35690, 48 bytes long.
 Data: <HOME=D:\Applicat> 48 4F 4D 45 3D 44 3A 5C 41 70 70 6C 69 63 61 74 
{3835559} normal block at 0x0000018526C35620, 48 bytes long.
 Data: <TMP=D:\Applicati> 54 4D 50 3D 44 3A 5C 41 70 70 6C 69 63 61 74 69 
{3835548} normal block at 0x0000018526C355B0, 48 bytes long.
 Data: <TEMP=D:\Applicat> 54 45 4D 50 3D 44 3A 5C 41 70 70 6C 69 63 61 74 
{3835537} normal block at 0x0000018526C35540, 48 bytes long.
 Data: <TMPDIR=D:\Applic> 54 4D 50 44 49 52 3D 44 3A 5C 41 70 70 6C 69 63 
{3835506} normal block at 0x0000018528929770, 64 bytes long.
 Data: <PATH=D:\Applicat> 50 41 54 48 3D 44 3A 5C 41 70 70 6C 69 63 61 74 
..\api\boinc_api.cpp(309) : {3835493} normal block at 0x0000018526C305F0, 8 bytes long.
 Data: <  &#187;&&#133;   > 00 00 BB 26 85 01 00 00 
{3833963} normal block at 0x0000018526C2FCE0, 8 bytes long.
 Data: < [ (&#133;   > 80 5B 98 28 85 01 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x0000018526C32960, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000018526C27310, 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 0x0000018526C37010, 16 bytes long.
 Data: <&#168;s&#195;&&#133;           > A8 73 C3 26 85 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000018526C366B0, 16 bytes long.
 Data: < s&#195;&&#133;           > 80 73 C3 26 85 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000018526C2E040, 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 0x0000018526C36B60, 16 bytes long.
 Data: <Xs&#195;&&#133;           > 58 73 C3 26 85 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000018526C36930, 16 bytes long.
 Data: <0s&#195;&&#133;           > 30 73 C3 26 85 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000018526C36390, 16 bytes long.
 Data: < s&#195;&&#133;           > 08 73 C3 26 85 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000018526C36480, 16 bytes long.
 Data: <&#224;r&#195;&&#133;           > E0 72 C3 26 85 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000018526C359A0, 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 0x0000018526C36AC0, 16 bytes long.
 Data: < &#190;&#193;&&#133;           > 08 BE C1 26 85 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000018526C2E5E0, 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 0x0000018526C367A0, 16 bytes long.
 Data: <&#224;&#189;&#193;&&#133;           > E0 BD C1 26 85 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000018526C36DE0, 16 bytes long.
 Data: <&#184;&#189;&#193;&&#133;           > B8 BD C1 26 85 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000018526C36C50, 16 bytes long.
 Data: < &#189;&#193;&&#133;           > 90 BD C1 26 85 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000018526C36570, 16 bytes long.
 Data: <h&#189;&#193;&&#133;           > 68 BD C1 26 85 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000018526C361B0, 16 bytes long.
 Data: <@&#189;&#193;&&#133;           > 40 BD C1 26 85 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000018526C36700, 16 bytes long.
 Data: < &#189;&#193;&&#133;           > 18 BD C1 26 85 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000018526C2EC40, 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 0x0000018526C36CF0, 16 bytes long.
 Data: <&#240;&#188;&#193;&&#133;           > F0 BC C1 26 85 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000018526C1BCF0, 320 bytes long.
 Data: <&#240;l&#195;&&#133;   @&#236;&#194;&&#133;   > F0 6C C3 26 85 01 00 00 40 EC C2 26 85 01 00 00 
{277} normal block at 0x0000018526C368E0, 16 bytes long.
 Data: <&#192;r&#195;&&#133;           > C0 72 C3 26 85 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000018526C36CA0, 16 bytes long.
 Data: < r&#195;&&#133;           > 98 72 C3 26 85 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000018526C2E820, 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 0x0000018526C36340, 16 bytes long.
 Data: <pr&#195;&&#133;           > 70 72 C3 26 85 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000018526C2EE80, 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 0x0000018526C36890, 16 bytes long.
 Data: <&#184;q&#195;&&#133;           > B8 71 C3 26 85 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000018526C36C00, 16 bytes long.
 Data: < q&#195;&&#133;           > 90 71 C3 26 85 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000018526C365C0, 16 bytes long.
 Data: <hq&#195;&&#133;           > 68 71 C3 26 85 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000018526C362A0, 16 bytes long.
 Data: <@q&#195;&&#133;           > 40 71 C3 26 85 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000018526C36840, 16 bytes long.
 Data: < q&#195;&&#133;           > 18 71 C3 26 85 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000018526C36610, 16 bytes long.
 Data: <&#240;p&#195;&&#133;           > F0 70 C3 26 85 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000018526C36750, 16 bytes long.
 Data: <0Y&#195;&&#133;           > 30 59 C3 26 85 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000018526C35930, 40 bytes long.
 Data: <Pg&#195;&&#133;   p&#151;&#146;(&#133;   > 50 67 C3 26 85 01 00 00 70 97 92 28 85 01 00 00 
{263} normal block at 0x0000018526C36B10, 16 bytes long.
 Data: <&#208;p&#195;&&#133;           > D0 70 C3 26 85 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000018526C36110, 16 bytes long.
 Data: <&#168;p&#195;&&#133;           > A8 70 C3 26 85 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000018526C2EAC0, 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 0x0000018526C36FC0, 16 bytes long.
 Data: < p&#195;&&#133;           > 80 70 C3 26 85 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000018526C37080, 992 bytes long.
 Data: <&#192;o&#195;&&#133;   &#192;&#234;&#194;&&#133;   > C0 6F C3 26 85 01 00 00 C0 EA C2 26 85 01 00 00 
{95} normal block at 0x0000018526C2E400, 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 0x0000018526C30820, 16 bytes long.
 Data: <@&#220;&#193;&&#133;           > 40 DC C1 26 85 01 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x0000018526C1DC40, 40 bytes long.
 Data: <  &#195;&&#133;    &#228;&#194;&&#133;   > 20 08 C3 26 85 01 00 00 00 E4 C2 26 85 01 00 00 
{72} normal block at 0x0000018526C30230, 16 bytes long.
 Data: < &#234;QB&#246;           > 80 EA 51 42 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000018526C2FD80, 16 bytes long.
 Data: <@&#233;QB&#246;           > 40 E9 51 42 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000018526C2FDD0, 16 bytes long.
 Data: <&#248;WNB&#246;           > F8 57 4E 42 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000018526C300F0, 16 bytes long.
 Data: <&#216;WNB&#246;           > D8 57 4E 42 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000018526C30320, 16 bytes long.
 Data: <P NB&#246;           > 50 04 4E 42 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000018526C300A0, 16 bytes long.
 Data: <0 NB&#246;           > 30 04 4E 42 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000018526C308C0, 16 bytes long.
 Data: <&#224; NB&#246;           > E0 02 4E 42 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000018526C30B40, 16 bytes long.
 Data: <  NB&#246;           > 10 04 4E 42 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000018526C30730, 16 bytes long.
 Data: <p NB&#246;           > 70 04 4E 42 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000018526C30410, 16 bytes long.
 Data: < &#192;LB&#246;           > 18 C0 4C 42 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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