Task 38646585

Name test_689-GPUGRID_TEST_ATM_1000_20261023-0-1-RND8888_0
Workunit 31591526
Created 23 Oct 2026, 16:40:57 UTC
Sent 23 Oct 2026, 17:47:23 UTC
Report deadline 28 Oct 2026, 17:47:23 UTC
Received 23 Oct 2026, 19:15:04 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 637827
Run time 1 hours 6 min 18 sec
CPU time 1 hours 3 min 36 sec
Validate state Valid
Credit 1,000.00
Device peak FLOPS 9,073.70 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 672.05 MB
Peak swap size 5.26 GB
Peak disk usage 2.97 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
21:06:19 (6900): wrapper (7.9.26016): starting
21:06:19 (6900): 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
21:06:20 (6900): Library/usr/bin/tar.exe exited; CPU time 0.015625
21:06:20 (6900): 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_Projects\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_Projects\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
22:13:34 (6900): C:/Windows/system32/cmd.exe exited; CPU time 3816.468750
22:13:34 (6900): called boinc_finish(0)
0 bytes in 0 Free Blocks.
192 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: 64194205 bytes.
Dumping objects ->
{3835241} normal block at 0x0000014A159B0990, 48 bytes long.
 Data: <PATH=D:\BOINC_Pr> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5F 50 72 
{3835230} normal block at 0x0000014A15AFA1D0, 32 bytes long.
 Data: <HOME=D:\BOINC_Pr> 48 4F 4D 45 3D 44 3A 5C 42 4F 49 4E 43 5F 50 72 
{3835219} normal block at 0x0000014A15AFA0B0, 32 bytes long.
 Data: <TMP=D:\BOINC_Pro> 54 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5F 50 72 6F 
{3835208} normal block at 0x0000014A15AFA110, 32 bytes long.
 Data: <TEMP=D:\BOINC_Pr> 54 45 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5F 50 72 
{3835197} normal block at 0x0000014A159B12C0, 48 bytes long.
 Data: <TMPDIR=D:\BOINC_> 54 4D 50 44 49 52 3D 44 3A 5C 42 4F 49 4E 43 5F 
{3835166} normal block at 0x0000014A159B1020, 48 bytes long.
 Data: <PATH=D:\BOINC_Pr> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5F 50 72 
..\api\boinc_api.cpp(309) : {3835153} normal block at 0x0000014A13EFC2D0, 8 bytes long.
 Data: <  &#236; J   > 00 00 EC 13 4A 01 00 00 
{3833953} normal block at 0x0000014A13EFC500, 8 bytes long.
 Data: <&#128;&#240;&#238; J   > 80 F0 EE 13 4A 01 00 00 
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x0000014A13F05BA0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000014A13EE0780, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{292} normal block at 0x0000014A13F06E10, 16 bytes long.
 Data: < &#132;&#240; J           > 08 84 F0 13 4A 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000014A13F07AE0, 16 bytes long.
 Data: <&#224;&#131;&#240; J           > E0 83 F0 13 4A 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000014A13F01100, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{289} normal block at 0x0000014A13F07B30, 16 bytes long.
 Data: <&#184;&#131;&#240; J           > B8 83 F0 13 4A 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000014A13F078B0, 16 bytes long.
 Data: <&#144;&#131;&#240; J           > 90 83 F0 13 4A 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000014A13F079A0, 16 bytes long.
 Data: <h&#131;&#240; J           > 68 83 F0 13 4A 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000014A13F074F0, 16 bytes long.
 Data: <@&#131;&#240; J           > 40 83 F0 13 4A 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000014A13F02BC0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{284} normal block at 0x0000014A13F07680, 16 bytes long.
 Data: <  &#239; J           > 18 01 EF 13 4A 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000014A13F00C80, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{282} normal block at 0x0000014A13F07950, 16 bytes long.
 Data: <&#240; &#239; J           > F0 00 EF 13 4A 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000014A13F074A0, 16 bytes long.
 Data: <&#200; &#239; J           > C8 00 EF 13 4A 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000014A13F06FF0, 16 bytes long.
 Data: <&#160; &#239; J           > A0 00 EF 13 4A 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000014A13F06DC0, 16 bytes long.
 Data: <x &#239; J           > 78 00 EF 13 4A 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000014A13F06D70, 16 bytes long.
 Data: <P &#239; J           > 50 00 EF 13 4A 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000014A13F07810, 16 bytes long.
 Data: <( &#239; J           > 28 00 EF 13 4A 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000014A13F015E0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{274} normal block at 0x0000014A13F07220, 16 bytes long.
 Data: <  &#239; J           > 00 00 EF 13 4A 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000014A13EF0000, 320 bytes long.
 Data: < r&#240; J   &#224; &#240; J   > 20 72 F0 13 4A 01 00 00 E0 15 F0 13 4A 01 00 00 
{272} normal block at 0x0000014A13F07310, 16 bytes long.
 Data: < &#131;&#240; J           > 20 83 F0 13 4A 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000014A13F07400, 16 bytes long.
 Data: <&#248;&#130;&#240; J           > F8 82 F0 13 4A 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000014A13F00A40, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{269} normal block at 0x0000014A13F07090, 16 bytes long.
 Data: <&#208;&#130;&#240; J           > D0 82 F0 13 4A 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000014A13F00BC0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{267} normal block at 0x0000014A13F07770, 16 bytes long.
 Data: < &#130;&#240; J           > 18 82 F0 13 4A 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000014A13F06EB0, 16 bytes long.
 Data: <&#240;&#129;&#240; J           > F0 81 F0 13 4A 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000014A13F06FA0, 16 bytes long.
 Data: <&#200;&#129;&#240; J           > C8 81 F0 13 4A 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000014A13F07B80, 16 bytes long.
 Data: <&#160;&#129;&#240; J           > A0 81 F0 13 4A 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000014A13F06E60, 16 bytes long.
 Data: <x&#129;&#240; J           > 78 81 F0 13 4A 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000014A13F07270, 16 bytes long.
 Data: <P&#129;&#240; J           > 50 81 F0 13 4A 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000014A13F07860, 16 bytes long.
 Data: <p*&#240; J           > 70 2A F0 13 4A 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000014A13F02A70, 40 bytes long.
 Data: <`x&#240; J     &#155; J   > 60 78 F0 13 4A 01 00 00 20 10 9B 15 4A 01 00 00 
{258} normal block at 0x0000014A13F06F50, 16 bytes long.
 Data: <0&#129;&#240; J           > 30 81 F0 13 4A 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000014A13F06D20, 16 bytes long.
 Data: < &#129;&#240; J           > 08 81 F0 13 4A 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000014A13F01640, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{255} normal block at 0x0000014A13F073B0, 16 bytes long.
 Data: <&#224;&#128;&#240; J           > E0 80 F0 13 4A 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x0000014A13F080E0, 992 bytes long.
 Data: <&#176;s&#240; J   @ &#240; J   > B0 73 F0 13 4A 01 00 00 40 16 F0 13 4A 01 00 00 
{90} normal block at 0x0000014A13F00C20, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{89} normal block at 0x0000014A13EFBD30, 16 bytes long.
 Data: < *&#240; J           > 00 2A F0 13 4A 01 00 00 00 00 00 00 00 00 00 00 
{88} normal block at 0x0000014A13F02A00, 40 bytes long.
 Data: <0&#189;&#239; J     &#240; J   > 30 BD EF 13 4A 01 00 00 20 0C F0 13 4A 01 00 00 
{67} normal block at 0x0000014A13EFC230, 16 bytes long.
 Data: <&#128;&#234;&#174;&#132;&#246;           > 80 EA AE 84 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000014A13EFBDD0, 16 bytes long.
 Data: <@&#233;&#174;&#132;&#246;           > 40 E9 AE 84 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000014A13EFC820, 16 bytes long.
 Data: <&#248;W&#171;&#132;&#246;           > F8 57 AB 84 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000014A13EFC3C0, 16 bytes long.
 Data: <&#216;W&#171;&#132;&#246;           > D8 57 AB 84 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000014A13EFC140, 16 bytes long.
 Data: <P &#171;&#132;&#246;           > 50 04 AB 84 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000014A13EFC0F0, 16 bytes long.
 Data: <0 &#171;&#132;&#246;           > 30 04 AB 84 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000014A13EFC0A0, 16 bytes long.
 Data: <&#224; &#171;&#132;&#246;           > E0 02 AB 84 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000014A13EFC7D0, 16 bytes long.
 Data: <  &#171;&#132;&#246;           > 10 04 AB 84 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000014A13EFBCE0, 16 bytes long.
 Data: <p &#171;&#132;&#246;           > 70 04 AB 84 F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000014A13EFC780, 16 bytes long.
 Data: < &#192;&#169;&#132;&#246;           > 18 C0 A9 84 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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