Task 38669111

Name test_667-GPUGRID_TEST_ATM_40STEP_20261023-18-40-RND8660_0
Workunit 31611501
Created 25 Oct 2026, 13:40:25 UTC
Sent 25 Oct 2026, 13:40:29 UTC
Report deadline 30 Oct 2026, 13:40:29 UTC
Received 25 Oct 2026, 15:40:02 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654625
Run time 28 min 43 sec
CPU time 27 min 13 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 719.67 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>
15:12:27 (4204): wrapper (7.9.26016): starting
15:12:27 (4204): 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
15:12:28 (4204): Library/usr/bin/tar.exe exited; CPU time 0.015625
15:12:28 (4204): 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
15:39:38 (4204): C:/Windows/system32/cmd.exe exited; CPU time 1633.296875
15:39:38 (4204): 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: 32855895 bytes.
Dumping objects ->
{3835581} normal block at 0x000001A719F55440, 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 0x000001A719F553D0, 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 0x000001A719F559F0, 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 0x000001A719F55980, 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 0x000001A719F55AD0, 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 0x000001A71BCD5C70, 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 0x000001A719F50A50, 8 bytes long.
 Data: <  &#241; &#167;   > 00 00 F1 19 A7 01 00 00 
{3833963} normal block at 0x000001A719F503C0, 8 bytes long.
 Data: < X&#214; &#167;   > 90 58 D6 1B A7 01 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x000001A719F520F0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000001A719F46B80, 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 0x000001A719F56BC0, 16 bytes long.
 Data: <&#200;r&#245; &#167;           > C8 72 F5 19 A7 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001A719F56530, 16 bytes long.
 Data: <&#160;r&#245; &#167;           > A0 72 F5 19 A7 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001A719F4EE10, 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 0x000001A719F56120, 16 bytes long.
 Data: <xr&#245; &#167;           > 78 72 F5 19 A7 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001A719F56080, 16 bytes long.
 Data: <Pr&#245; &#167;           > 50 72 F5 19 A7 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001A719F561C0, 16 bytes long.
 Data: <(r&#245; &#167;           > 28 72 F5 19 A7 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001A719F568A0, 16 bytes long.
 Data: < r&#245; &#167;           > 00 72 F5 19 A7 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001A719F55750, 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 0x000001A719F56030, 16 bytes long.
 Data: < &#190;&#243; &#167;           > 08 BE F3 19 A7 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001A719F4EAB0, 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 0x000001A719F55FE0, 16 bytes long.
 Data: <&#224;&#189;&#243; &#167;           > E0 BD F3 19 A7 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001A719F56F30, 16 bytes long.
 Data: <&#184;&#189;&#243; &#167;           > B8 BD F3 19 A7 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001A719F563A0, 16 bytes long.
 Data: < &#189;&#243; &#167;           > 90 BD F3 19 A7 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001A719F56620, 16 bytes long.
 Data: <h&#189;&#243; &#167;           > 68 BD F3 19 A7 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001A719F56AD0, 16 bytes long.
 Data: <@&#189;&#243; &#167;           > 40 BD F3 19 A7 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001A719F567B0, 16 bytes long.
 Data: < &#189;&#243; &#167;           > 18 BD F3 19 A7 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001A719F4E750, 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 0x000001A719F56B20, 16 bytes long.
 Data: <&#240;&#188;&#243; &#167;           > F0 BC F3 19 A7 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001A719F3BCF0, 320 bytes long.
 Data: < k&#245; &#167;   P&#231;&#244; &#167;   > 20 6B F5 19 A7 01 00 00 50 E7 F4 19 A7 01 00 00 
{277} normal block at 0x000001A719F56440, 16 bytes long.
 Data: <&#224;q&#245; &#167;           > E0 71 F5 19 A7 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001A719F56940, 16 bytes long.
 Data: <&#184;q&#245; &#167;           > B8 71 F5 19 A7 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001A719F4E4B0, 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 0x000001A719F56C10, 16 bytes long.
 Data: < q&#245; &#167;           > 90 71 F5 19 A7 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001A719F4E510, 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 0x000001A719F56E90, 16 bytes long.
 Data: <&#216;p&#245; &#167;           > D8 70 F5 19 A7 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001A719F56EE0, 16 bytes long.
 Data: <&#176;p&#245; &#167;           > B0 70 F5 19 A7 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001A719F56DA0, 16 bytes long.
 Data: < p&#245; &#167;           > 88 70 F5 19 A7 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001A719F56DF0, 16 bytes long.
 Data: <`p&#245; &#167;           > 60 70 F5 19 A7 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001A719F564E0, 16 bytes long.
 Data: <8p&#245; &#167;           > 38 70 F5 19 A7 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001A719F56E40, 16 bytes long.
 Data: < p&#245; &#167;           > 10 70 F5 19 A7 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001A719F56760, 16 bytes long.
 Data: <&#176;T&#245; &#167;           > B0 54 F5 19 A7 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001A719F554B0, 40 bytes long.
 Data: <`g&#245; &#167;   p\&#205; &#167;   > 60 67 F5 19 A7 01 00 00 70 5C CD 1B A7 01 00 00 
{263} normal block at 0x000001A719F56710, 16 bytes long.
 Data: <&#240;o&#245; &#167;           > F0 6F F5 19 A7 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001A719F56210, 16 bytes long.
 Data: <&#200;o&#245; &#167;           > C8 6F F5 19 A7 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001A719F4E150, 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 0x000001A719F565D0, 16 bytes long.
 Data: <&#160;o&#245; &#167;           > A0 6F F5 19 A7 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001A719F56FA0, 992 bytes long.
 Data: <&#208;e&#245; &#167;   P&#225;&#244; &#167;   > D0 65 F5 19 A7 01 00 00 50 E1 F4 19 A7 01 00 00 
{95} normal block at 0x000001A719F4ED50, 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 0x000001A719F50B40, 16 bytes long.
 Data: <@&#220;&#243; &#167;           > 40 DC F3 19 A7 01 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x000001A719F3DC40, 40 bytes long.
 Data: <@ &#245; &#167;   P&#237;&#244; &#167;   > 40 0B F5 19 A7 01 00 00 50 ED F4 19 A7 01 00 00 
{72} normal block at 0x000001A719F50370, 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 0x000001A719F50820, 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 0x000001A719F50A00, 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 0x000001A719F502D0, 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 0x000001A719F4FF10, 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 0x000001A719F4FE70, 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 0x000001A719F50AF0, 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 0x000001A719F501E0, 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 0x000001A719F50230, 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 0x000001A719F505A0, 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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