Task 38669483

Name test_112-GPUGRID_TEST_ATM_40STEP_20261023-11-40-RND1505_0
Workunit 31611826
Created 25 Oct 2026, 14:41:51 UTC
Sent 25 Oct 2026, 14:41:55 UTC
Report deadline 30 Oct 2026, 14:41:55 UTC
Received 25 Oct 2026, 16:40:23 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654625
Run time 28 min 40 sec
CPU time 27 min 16 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 718.05 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>
16:12:11 (17804): wrapper (7.9.26016): starting
16:12:11 (17804): 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
16:12:14 (17804): Library/usr/bin/tar.exe exited; CPU time 0.015625
16:12:14 (17804): 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
16:39:22 (17804): C:/Windows/system32/cmd.exe exited; CPU time 1636.171875
16:39:22 (17804): 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: 31454887 bytes.
Dumping objects ->
{3835581} normal block at 0x000001D95E4C77E0, 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 0x000001D95E4C7D20, 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 0x000001D95E4C7AF0, 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 0x000001D95E4C7EE0, 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 0x000001D95E4C7A10, 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 0x000001D96027BDE0, 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 0x000001D95E4C0690, 8 bytes long.
 Data: <  9`&#217;   > 00 00 39 60 D9 01 00 00 
{3833963} normal block at 0x000001D95E4C0500, 8 bytes long.
 Data: <&#208;w0`&#217;   > D0 77 30 60 D9 01 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x000001D95E4C29B0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000001D95E4B7630, 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 0x000001D95E4C8C70, 16 bytes long.
 Data: <&#216;&#146;L^&#217;           > D8 92 4C 5E D9 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001D95E4C85E0, 16 bytes long.
 Data: <&#176;&#146;L^&#217;           > B0 92 4C 5E D9 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001D95E4BEE10, 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 0x000001D95E4C81D0, 16 bytes long.
 Data: < &#146;L^&#217;           > 88 92 4C 5E D9 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001D95E4C8040, 16 bytes long.
 Data: <`&#146;L^&#217;           > 60 92 4C 5E D9 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001D95E4C8680, 16 bytes long.
 Data: <8&#146;L^&#217;           > 38 92 4C 5E D9 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001D95E4C8770, 16 bytes long.
 Data: < &#146;L^&#217;           > 10 92 4C 5E D9 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001D95E4C7BD0, 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 0x000001D95E4C7FF0, 16 bytes long.
 Data: < &#190;J^&#217;           > 08 BE 4A 5E D9 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001D95E4BE2D0, 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 0x000001D95E4C8EF0, 16 bytes long.
 Data: <&#224;&#189;J^&#217;           > E0 BD 4A 5E D9 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001D95E4C8220, 16 bytes long.
 Data: <&#184;&#189;J^&#217;           > B8 BD 4A 5E D9 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001D95E4C8C20, 16 bytes long.
 Data: < &#189;J^&#217;           > 90 BD 4A 5E D9 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001D95E4C8590, 16 bytes long.
 Data: <h&#189;J^&#217;           > 68 BD 4A 5E D9 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001D95E4C8180, 16 bytes long.
 Data: <@&#189;J^&#217;           > 40 BD 4A 5E D9 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001D95E4C8130, 16 bytes long.
 Data: < &#189;J^&#217;           > 18 BD 4A 5E D9 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001D95E4BE4B0, 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 0x000001D95E4C8810, 16 bytes long.
 Data: <&#240;&#188;J^&#217;           > F0 BC 4A 5E D9 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001D95E4ABCF0, 320 bytes long.
 Data: <  L^&#217;   &#176;&#228;K^&#217;   > 10 88 4C 5E D9 01 00 00 B0 E4 4B 5E D9 01 00 00 
{277} normal block at 0x000001D95E4C8540, 16 bytes long.
 Data: <&#240;&#145;L^&#217;           > F0 91 4C 5E D9 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001D95E4C8D60, 16 bytes long.
 Data: <&#200;&#145;L^&#217;           > C8 91 4C 5E D9 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001D95E4BE7B0, 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 0x000001D95E4C87C0, 16 bytes long.
 Data: <&#160;&#145;L^&#217;           > A0 91 4C 5E D9 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001D95E4BE5D0, 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 0x000001D95E4C84F0, 16 bytes long.
 Data: <&#232; L^&#217;           > E8 90 4C 5E D9 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001D95E4C8EA0, 16 bytes long.
 Data: <&#192; L^&#217;           > C0 90 4C 5E D9 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001D95E4C8F40, 16 bytes long.
 Data: <  L^&#217;           > 98 90 4C 5E D9 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001D95E4C8720, 16 bytes long.
 Data: <p L^&#217;           > 70 90 4C 5E D9 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001D95E4C84A0, 16 bytes long.
 Data: <H L^&#217;           > 48 90 4C 5E D9 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001D95E4C8E50, 16 bytes long.
 Data: <  L^&#217;           > 20 90 4C 5E D9 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001D95E4C8B80, 16 bytes long.
 Data: <PxL^&#217;           > 50 78 4C 5E D9 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001D95E4C7850, 40 bytes long.
 Data: < &#139;L^&#217;   &#224;&#189;'`&#217;   > 80 8B 4C 5E D9 01 00 00 E0 BD 27 60 D9 01 00 00 
{263} normal block at 0x000001D95E4C8630, 16 bytes long.
 Data: <  L^&#217;           > 00 90 4C 5E D9 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001D95E4C8AE0, 16 bytes long.
 Data: <&#216; L^&#217;           > D8 8F 4C 5E D9 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001D95E4BE390, 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 0x000001D95E4C8450, 16 bytes long.
 Data: <&#176; L^&#217;           > B0 8F 4C 5E D9 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001D95E4C8FB0, 992 bytes long.
 Data: <P&#132;L^&#217;    &#227;K^&#217;   > 50 84 4C 5E D9 01 00 00 90 E3 4B 5E D9 01 00 00 
{95} normal block at 0x000001D95E4BE8D0, 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 0x000001D95E4C0460, 16 bytes long.
 Data: <@&#220;J^&#217;           > 40 DC 4A 5E D9 01 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x000001D95E4ADC40, 40 bytes long.
 Data: <` L^&#217;   &#208;&#232;K^&#217;   > 60 04 4C 5E D9 01 00 00 D0 E8 4B 5E D9 01 00 00 
{72} normal block at 0x000001D95E4C0410, 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 0x000001D95E4C05A0, 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 0x000001D95E4BFDD0, 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 0x000001D95E4C0370, 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 0x000001D95E4C0730, 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 0x000001D95E4C0050, 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 0x000001D95E4C0230, 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 0x000001D95E4C0780, 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 0x000001D95E4C08C0, 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 0x000001D95E4C0AF0, 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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