Task 38661740

Name test_993-GPUGRID_TEST_ATM_40STEP_20261023-9-40-RND6641_0
Workunit 31605129
Created 24 Oct 2026, 16:13:29 UTC
Sent 24 Oct 2026, 17:48:07 UTC
Report deadline 29 Oct 2026, 17:48:07 UTC
Received 24 Oct 2026, 18:17:00 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 559888
Run time 24 min 15 sec
CPU time 20 min 57 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 112,285.23 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 763.77 MB
Peak swap size 13.26 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
18:54:06 (25852): wrapper (7.9.26016): starting
18:54:06 (25852): 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
18:54:08 (25852): Library/usr/bin/tar.exe exited; CPU time 0.015625
18:54:08 (25852): 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\data\slots\0\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\data\slots\0\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
19:16:38 (25852): C:/Windows/system32/cmd.exe exited; CPU time 1257.515625
19:16:38 (25852): called boinc_finish(0)
0 bytes in 0 Free Blocks.
346 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: 34063840 bytes.
Dumping objects ->
{3835279} normal block at 0x000001AC20525DC0, 48 bytes long.
 Data: <PATH=D:\Boinc\da> 50 41 54 48 3D 44 3A 5C 42 6F 69 6E 63 5C 64 61 
{3835268} normal block at 0x000001AC222223C0, 32 bytes long.
 Data: <HOME=D:\Boinc\da> 48 4F 4D 45 3D 44 3A 5C 42 6F 69 6E 63 5C 64 61 
{3835257} normal block at 0x000001AC22222AE0, 32 bytes long.
 Data: <TMP=D:\Boinc\dat> 54 4D 50 3D 44 3A 5C 42 6F 69 6E 63 5C 64 61 74 
{3835246} normal block at 0x000001AC22222D20, 32 bytes long.
 Data: <TEMP=D:\Boinc\da> 54 45 4D 50 3D 44 3A 5C 42 6F 69 6E 63 5C 64 61 
{3835235} normal block at 0x000001AC22221EE0, 32 bytes long.
 Data: <TMPDIR=D:\Boinc\> 54 4D 50 44 49 52 3D 44 3A 5C 42 6F 69 6E 63 5C 
{3835204} normal block at 0x000001AC20525D50, 48 bytes long.
 Data: <PATH=D:\Boinc\da> 50 41 54 48 3D 44 3A 5C 42 6F 69 6E 63 5C 64 61 
{3835193} normal block at 0x000001AC221EE0D0, 85 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) : {3835190} normal block at 0x000001AC2051FE20, 8 bytes long.
 Data: <  M &#172;   > 00 00 4D 20 AC 01 00 00 
{3834567} normal block at 0x000001AC221ED770, 85 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833961} normal block at 0x000001AC2051FCE0, 8 bytes long.
 Data: <&#240;A#"&#172;   > F0 41 23 22 AC 01 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x000001AC20522110, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001AC20517760, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{296} normal block at 0x000001AC20526D60, 16 bytes long.
 Data: <&#168;uR &#172;           > A8 75 52 20 AC 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001AC20526720, 16 bytes long.
 Data: < uR &#172;           > 80 75 52 20 AC 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001AC20520B20, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{293} normal block at 0x000001AC205264A0, 16 bytes long.
 Data: <XuR &#172;           > 58 75 52 20 AC 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001AC20526450, 16 bytes long.
 Data: <0uR &#172;           > 30 75 52 20 AC 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001AC205267C0, 16 bytes long.
 Data: < uR &#172;           > 08 75 52 20 AC 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001AC205265E0, 16 bytes long.
 Data: <&#224;tR &#172;           > E0 74 52 20 AC 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001AC205260D0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{288} normal block at 0x000001AC20526D10, 16 bytes long.
 Data: <(&#159;Q &#172;           > 28 9F 51 20 AC 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001AC20520E20, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{286} normal block at 0x000001AC20526CC0, 16 bytes long.
 Data: < &#159;Q &#172;           > 00 9F 51 20 AC 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001AC20526400, 16 bytes long.
 Data: <&#216;&#158;Q &#172;           > D8 9E 51 20 AC 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001AC20526AE0, 16 bytes long.
 Data: <&#176;&#158;Q &#172;           > B0 9E 51 20 AC 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001AC20526B80, 16 bytes long.
 Data: < &#158;Q &#172;           > 88 9E 51 20 AC 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001AC205263B0, 16 bytes long.
 Data: <`&#158;Q &#172;           > 60 9E 51 20 AC 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001AC20526C70, 16 bytes long.
 Data: <8&#158;Q &#172;           > 38 9E 51 20 AC 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001AC205209A0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{278} normal block at 0x000001AC20526F40, 16 bytes long.
 Data: < &#158;Q &#172;           > 10 9E 51 20 AC 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001AC20519E10, 320 bytes long.
 Data: <@oR &#172;   &#160;	R &#172;   > 40 6F 52 20 AC 01 00 00 A0 09 52 20 AC 01 00 00 
{276} normal block at 0x000001AC20526860, 16 bytes long.
 Data: <&#192;tR &#172;           > C0 74 52 20 AC 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001AC20526EF0, 16 bytes long.
 Data: < tR &#172;           > 98 74 52 20 AC 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001AC20520D00, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{273} normal block at 0x000001AC20526A90, 16 bytes long.
 Data: <ptR &#172;           > 70 74 52 20 AC 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001AC205213C0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{271} normal block at 0x000001AC20526900, 16 bytes long.
 Data: <&#184;sR &#172;           > B8 73 52 20 AC 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001AC20526E50, 16 bytes long.
 Data: < sR &#172;           > 90 73 52 20 AC 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001AC20526810, 16 bytes long.
 Data: <hsR &#172;           > 68 73 52 20 AC 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001AC20526770, 16 bytes long.
 Data: <@sR &#172;           > 40 73 52 20 AC 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001AC205262C0, 16 bytes long.
 Data: < sR &#172;           > 18 73 52 20 AC 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001AC20527170, 16 bytes long.
 Data: <&#240;rR &#172;           > F0 72 52 20 AC 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001AC20526310, 16 bytes long.
 Data: <&#240;_R &#172;           > F0 5F 52 20 AC 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001AC20525FF0, 40 bytes long.
 Data: < cR &#172;   P]R &#172;   > 10 63 52 20 AC 01 00 00 50 5D 52 20 AC 01 00 00 
{262} normal block at 0x000001AC205264F0, 16 bytes long.
 Data: <&#208;rR &#172;           > D0 72 52 20 AC 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001AC205270D0, 16 bytes long.
 Data: <&#168;rR &#172;           > A8 72 52 20 AC 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001AC205208E0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{259} normal block at 0x000001AC205266D0, 16 bytes long.
 Data: < rR &#172;           > 80 72 52 20 AC 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001AC20527280, 992 bytes long.
 Data: <&#208;fR &#172;   &#224; R &#172;   > D0 66 52 20 AC 01 00 00 E0 08 52 20 AC 01 00 00 
{94} normal block at 0x000001AC20521180, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{93} normal block at 0x000001AC205201E0, 16 bytes long.
 Data: <&#160;&#228;P &#172;           > A0 E4 50 20 AC 01 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x000001AC2050E4A0, 40 bytes long.
 Data: <&#224; R &#172;     R &#172;   > E0 01 52 20 AC 01 00 00 80 11 52 20 AC 01 00 00 
{71} normal block at 0x000001AC20520230, 16 bytes long.
 Data: < &#234;N.&#246;           > 80 EA 4E 2E F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001AC20520050, 16 bytes long.
 Data: <@&#233;N.&#246;           > 40 E9 4E 2E F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001AC2051FBA0, 16 bytes long.
 Data: <&#248;WK.&#246;           > F8 57 4B 2E F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001AC2051FAB0, 16 bytes long.
 Data: <&#216;WK.&#246;           > D8 57 4B 2E F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001AC2051F740, 16 bytes long.
 Data: <P K.&#246;           > 50 04 4B 2E F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001AC2051F7E0, 16 bytes long.
 Data: <0 K.&#246;           > 30 04 4B 2E F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001AC2051FB50, 16 bytes long.
 Data: <&#224; K.&#246;           > E0 02 4B 2E F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001AC2051F920, 16 bytes long.
 Data: <  K.&#246;           > 10 04 4B 2E F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001AC20520410, 16 bytes long.
 Data: <p K.&#246;           > 70 04 4B 2E F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001AC20520000, 16 bytes long.
 Data: < &#192;I.&#246;           > 18 C0 49 2E F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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