Task 38671884

Name test_42-GPUGRID_TEST_ATM_40STEP_20261023-22-40-RND2290_0
Workunit 31614066
Created 25 Oct 2026, 21:51:36 UTC
Sent 25 Oct 2026, 21:51:39 UTC
Report deadline 30 Oct 2026, 21:51:39 UTC
Received 26 Oct 2026, 0:07:11 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 562435
Run time 1 hours 40 min 3 sec
CPU time 1 hours 28 min 43 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 5,156.89 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 648.00 MB
Peak swap size 2.19 GB
Peak disk usage 3.02 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
16:29:13 (9420): wrapper (7.9.26016): starting
16:29:13 (9420): 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
16:29:16 (9420): Library/usr/bin/tar.exe exited; CPU time 0.015625
16:29:16 (9420): 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\3\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\3\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
18:06:30 (9420): C:/Windows/system32/cmd.exe exited; CPU time 5323.328125
18:06:30 (9420): called boinc_finish(0)
0 bytes in 0 Free Blocks.
726 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: 63036173 bytes.
Dumping objects ->
{3835251} normal block at 0x000002760FCF48C0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835240} normal block at 0x000002760FCF4CB0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835229} normal block at 0x000002760FCF47E0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835218} normal block at 0x000002760FCF4AF0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835207} normal block at 0x000002760FCF4FC0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835176} normal block at 0x000002760FD6C610, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835165} normal block at 0x000002760E262190, 235 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) : {3835162} normal block at 0x000002760E255F60, 8 bytes long.
 Data: <    v   > 00 00 20 0E 76 02 00 00 
{3834555} normal block at 0x000002760E261E00, 235 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833945} normal block at 0x000002760E255E70, 8 bytes long.
 Data: < &#145;+ v   > 00 91 2B 0E 76 02 00 00 
..\zip\boinc_zip.cpp(122) : {304} normal block at 0x000002760E25F4C0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002760E25C540, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{288} normal block at 0x000002760E260640, 16 bytes long.
 Data: <x+& v           > 78 2B 26 0E 76 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002760E260C80, 16 bytes long.
 Data: <P+& v           > 50 2B 26 0E 76 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002760E2567A0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{285} normal block at 0x000002760E2605A0, 16 bytes long.
 Data: <(+& v           > 28 2B 26 0E 76 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002760E260550, 16 bytes long.
 Data: < +& v           > 00 2B 26 0E 76 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002760E2604B0, 16 bytes long.
 Data: <&#216;*& v           > D8 2A 26 0E 76 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002760E260370, 16 bytes long.
 Data: <&#176;*& v           > B0 2A 26 0E 76 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002760E25C8F0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{280} normal block at 0x000002760E260910, 16 bytes long.
 Data: <&#216;&#196;% v           > D8 C4 25 0E 76 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002760E256DA0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{278} normal block at 0x000002760E260320, 16 bytes long.
 Data: <&#176;&#196;% v           > B0 C4 25 0E 76 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002760E2602D0, 16 bytes long.
 Data: < &#196;% v           > 88 C4 25 0E 76 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002760E2611D0, 16 bytes long.
 Data: <`&#196;% v           > 60 C4 25 0E 76 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002760E260410, 16 bytes long.
 Data: <8&#196;% v           > 38 C4 25 0E 76 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002760E261220, 16 bytes long.
 Data: < &#196;% v           > 10 C4 25 0E 76 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002760E260E10, 16 bytes long.
 Data: <&#232;&#195;% v           > E8 C3 25 0E 76 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002760E257400, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{270} normal block at 0x000002760E260C30, 16 bytes long.
 Data: <&#192;&#195;% v           > C0 C3 25 0E 76 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002760E25C3C0, 320 bytes long.
 Data: <0 & v    t% v   > 30 0C 26 0E 76 02 00 00 00 74 25 0E 76 02 00 00 
{268} normal block at 0x000002760E260870, 16 bytes long.
 Data: < *& v           > 90 2A 26 0E 76 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002760E261180, 16 bytes long.
 Data: <h*& v           > 68 2A 26 0E 76 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002760E256740, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{265} normal block at 0x000002760E260AA0, 16 bytes long.
 Data: <@*& v           > 40 2A 26 0E 76 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002760E2573A0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{263} normal block at 0x000002760E2603C0, 16 bytes long.
 Data: < )& v           > 88 29 26 0E 76 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002760E260500, 16 bytes long.
 Data: <`)& v           > 60 29 26 0E 76 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002760E261130, 16 bytes long.
 Data: <8)& v           > 38 29 26 0E 76 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000002760E260E60, 16 bytes long.
 Data: < )& v           > 10 29 26 0E 76 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000002760E260B40, 16 bytes long.
 Data: <&#232;(& v           > E8 28 26 0E 76 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000002760E2610E0, 16 bytes long.
 Data: <&#192;(& v           > C0 28 26 0E 76 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000002760E260F50, 16 bytes long.
 Data: <0&#199;% v           > 30 C7 25 0E 76 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000002760E25C730, 40 bytes long.
 Data: <P & v    &#198;&#214; v   > 50 0F 26 0E 76 02 00 00 10 C6 D6 0F 76 02 00 00 
{254} normal block at 0x000002760E260780, 16 bytes long.
 Data: <&#160;(& v           > A0 28 26 0E 76 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x000002760E261040, 16 bytes long.
 Data: <x(& v           > 78 28 26 0E 76 02 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x000002760E256C20, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{251} normal block at 0x000002760E260730, 16 bytes long.
 Data: <P(& v           > 50 28 26 0E 76 02 00 00 00 00 00 00 00 00 00 00 
{250} normal block at 0x000002760E262850, 992 bytes long.
 Data: <0 & v    l% v   > 30 07 26 0E 76 02 00 00 20 6C 25 0E 76 02 00 00 
{86} normal block at 0x000002760E256FE0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{85} normal block at 0x000002760E255C40, 16 bytes long.
 Data: <0&#206;% v           > 30 CE 25 0E 76 02 00 00 00 00 00 00 00 00 00 00 
{84} normal block at 0x000002760E25CE30, 40 bytes long.
 Data: <@\% v   &#224;o% v   > 40 5C 25 0E 76 02 00 00 E0 6F 25 0E 76 02 00 00 
{63} normal block at 0x000002760E2556F0, 16 bytes long.
 Data: < &#234;HE&#247;           > 80 EA 48 45 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002760E2564B0, 16 bytes long.
 Data: <@&#233;HE&#247;           > 40 E9 48 45 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002760E255740, 16 bytes long.
 Data: <&#248;WEE&#247;           > F8 57 45 45 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000002760E2558D0, 16 bytes long.
 Data: <&#216;WEE&#247;           > D8 57 45 45 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000002760E255DD0, 16 bytes long.
 Data: <P EE&#247;           > 50 04 45 45 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000002760E256140, 16 bytes long.
 Data: <0 EE&#247;           > 30 04 45 45 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000002760E256410, 16 bytes long.
 Data: <&#224; EE&#247;           > E0 02 45 45 F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x000002760E2557E0, 16 bytes long.
 Data: <  EE&#247;           > 10 04 45 45 F7 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x000002760E255B00, 16 bytes long.
 Data: <p EE&#247;           > 70 04 45 45 F7 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x000002760E255FB0, 16 bytes long.
 Data: < &#192;CE&#247;           > 18 C0 43 45 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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