Task 38653413

Name test_391-GPUGRID_TEST_ATM_40STEP_20261023-2-40-RND7474_1
Workunit 31597246
Created 24 Oct 2026, 5:33:45 UTC
Sent 24 Oct 2026, 5:37:54 UTC
Report deadline 29 Oct 2026, 5:37:54 UTC
Received 24 Oct 2026, 7:07:32 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 616957
Run time 26 min 11 sec
CPU time 25 min 7 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 19,295.78 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 734.04 MB
Peak swap size 8.40 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
08:41:11 (3936): wrapper (7.9.26016): starting
08:41:11 (3936): 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
08:41:12 (3936): Library/usr/bin/tar.exe exited; CPU time 0.015625
08:41:12 (3936): 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 'C:\ProgramData\BOINC\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 'C:\ProgramData\BOINC\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
09:07:04 (3936): C:/Windows/system32/cmd.exe exited; CPU time 1506.984375
09:07:04 (3936): 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: 27402377 bytes.
Dumping objects ->
{3835266} normal block at 0x000001AD559B5F60, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835255} normal block at 0x000001AD559B5A90, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835244} normal block at 0x000001AD559B5BE0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835233} normal block at 0x000001AD559B5EF0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835222} normal block at 0x000001AD559B59B0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835191} normal block at 0x000001AD57746B30, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
..\api\boinc_api.cpp(309) : {3835178} normal block at 0x000001AD559AF040, 8 bytes long.
 Data: <   V&#173;   > 00 00 05 56 AD 01 00 00 
{3833963} normal block at 0x000001AD559AF400, 8 bytes long.
 Data: <&#176;Z}W&#173;   > B0 5A 7D 57 AD 01 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x000001AD559A6930, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000001AD559A08F0, 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 0x000001AD559B3F60, 16 bytes long.
 Data: <&#248;W&#155;U&#173;           > F8 57 9B 55 AD 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001AD559B4960, 16 bytes long.
 Data: <&#208;W&#155;U&#173;           > D0 57 9B 55 AD 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001AD559B0490, 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 0x000001AD559B45F0, 16 bytes long.
 Data: <&#168;W&#155;U&#173;           > A8 57 9B 55 AD 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001AD559B4050, 16 bytes long.
 Data: < W&#155;U&#173;           > 80 57 9B 55 AD 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001AD559B4EB0, 16 bytes long.
 Data: <XW&#155;U&#173;           > 58 57 9B 55 AD 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001AD559B44B0, 16 bytes long.
 Data: <0W&#155;U&#173;           > 30 57 9B 55 AD 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001AD559B5C50, 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 0x000001AD559B4500, 16 bytes long.
 Data: <x&#183; U&#173;           > 78 B7 99 55 AD 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001AD559B0310, 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 0x000001AD559B4870, 16 bytes long.
 Data: <P&#183; U&#173;           > 50 B7 99 55 AD 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001AD559B4D70, 16 bytes long.
 Data: <(&#183; U&#173;           > 28 B7 99 55 AD 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001AD559B4CD0, 16 bytes long.
 Data: < &#183; U&#173;           > 00 B7 99 55 AD 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001AD559B4BE0, 16 bytes long.
 Data: <&#216;&#182; U&#173;           > D8 B6 99 55 AD 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001AD559B4E60, 16 bytes long.
 Data: <&#176;&#182; U&#173;           > B0 B6 99 55 AD 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001AD559B4E10, 16 bytes long.
 Data: < &#182; U&#173;           > 88 B6 99 55 AD 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001AD559B0070, 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 0x000001AD559B4320, 16 bytes long.
 Data: <`&#182; U&#173;           > 60 B6 99 55 AD 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001AD5599B660, 320 bytes long.
 Data: < C&#155;U&#173;   p &#155;U&#173;   > 20 43 9B 55 AD 01 00 00 70 00 9B 55 AD 01 00 00 
{277} normal block at 0x000001AD559B3FB0, 16 bytes long.
 Data: < W&#155;U&#173;           > 10 57 9B 55 AD 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001AD559B45A0, 16 bytes long.
 Data: <&#232;V&#155;U&#173;           > E8 56 9B 55 AD 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001AD559AFFB0, 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 0x000001AD559B4B90, 16 bytes long.
 Data: <&#192;V&#155;U&#173;           > C0 56 9B 55 AD 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001AD559AFEF0, 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 0x000001AD559B4910, 16 bytes long.
 Data: < V&#155;U&#173;           > 08 56 9B 55 AD 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001AD559B47D0, 16 bytes long.
 Data: <&#224;U&#155;U&#173;           > E0 55 9B 55 AD 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001AD559B4B40, 16 bytes long.
 Data: <&#184;U&#155;U&#173;           > B8 55 9B 55 AD 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001AD559B4780, 16 bytes long.
 Data: < U&#155;U&#173;           > 90 55 9B 55 AD 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001AD559B4140, 16 bytes long.
 Data: <hU&#155;U&#173;           > 68 55 9B 55 AD 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001AD559B4D20, 16 bytes long.
 Data: <@U&#155;U&#173;           > 40 55 9B 55 AD 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001AD559B4C80, 16 bytes long.
 Data: <`&#195; U&#173;           > 60 C3 99 55 AD 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001AD5599C360, 40 bytes long.
 Data: < L&#155;U&#173;   0ktW&#173;   > 80 4C 9B 55 AD 01 00 00 30 6B 74 57 AD 01 00 00 
{263} normal block at 0x000001AD559B4A00, 16 bytes long.
 Data: < U&#155;U&#173;           > 20 55 9B 55 AD 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001AD559B4820, 16 bytes long.
 Data: <&#248;T&#155;U&#173;           > F8 54 9B 55 AD 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001AD559B00D0, 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 0x000001AD559B4730, 16 bytes long.
 Data: <&#208;T&#155;U&#173;           > D0 54 9B 55 AD 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001AD559B54D0, 992 bytes long.
 Data: <0G&#155;U&#173;   &#208; &#155;U&#173;   > 30 47 9B 55 AD 01 00 00 D0 00 9B 55 AD 01 00 00 
{95} normal block at 0x000001AD559B0130, 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 0x000001AD559AED70, 16 bytes long.
 Data: <@&#201; U&#173;           > 40 C9 99 55 AD 01 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x000001AD5599C940, 40 bytes long.
 Data: <p&#237;&#154;U&#173;   0 &#155;U&#173;   > 70 ED 9A 55 AD 01 00 00 30 01 9B 55 AD 01 00 00 
{72} normal block at 0x000001AD559AF540, 16 bytes long.
 Data: < &#234;\C&#247;           > 80 EA 5C 43 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001AD559AF310, 16 bytes long.
 Data: <@&#233;\C&#247;           > 40 E9 5C 43 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001AD559AF770, 16 bytes long.
 Data: <&#248;WYC&#247;           > F8 57 59 43 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001AD559AF4F0, 16 bytes long.
 Data: <&#216;WYC&#247;           > D8 57 59 43 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001AD559AEDC0, 16 bytes long.
 Data: <P YC&#247;           > 50 04 59 43 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001AD559AEF50, 16 bytes long.
 Data: <0 YC&#247;           > 30 04 59 43 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001AD559AF3B0, 16 bytes long.
 Data: <&#224; YC&#247;           > E0 02 59 43 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001AD559AF220, 16 bytes long.
 Data: <  YC&#247;           > 10 04 59 43 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001AD559AECD0, 16 bytes long.
 Data: <p YC&#247;           > 70 04 59 43 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001AD559AF0E0, 16 bytes long.
 Data: < &#192;WC&#247;           > 18 C0 57 43 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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