Task 38673859

Name test_213-GPUGRID_TEST_ATM_40STEP_20261023-9-40-RND4161_0
Workunit 31615919
Created 26 Oct 2026, 3:38:14 UTC
Sent 26 Oct 2026, 3:38:20 UTC
Report deadline 31 Oct 2026, 3:38:20 UTC
Received 26 Oct 2026, 4:04:13 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 619058
Run time 22 min 46 sec
CPU time 21 min 23 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 82,578.99 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 742.11 MB
Peak swap size 13.15 GB
Peak disk usage 4.20 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
21:42:04 (49784): wrapper (7.9.26016): starting
21:42:04 (49784): 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
21:42:05 (49784): Library/usr/bin/tar.exe exited; CPU time 0.015625
21:42:05 (49784): 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\6\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\6\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
22:03:47 (49784): C:/Windows/system32/cmd.exe exited; CPU time 1283.203125
22:03:47 (49784): 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: 32964605 bytes.
Dumping objects ->
{3835217} normal block at 0x000001EAB5485910, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835206} normal block at 0x000001EAB5485AD0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835195} normal block at 0x000001EAB54858A0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835184} normal block at 0x000001EAB5485830, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835173} normal block at 0x000001EAB5485A60, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835142} normal block at 0x000001EAB723BCC0, 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) : {3835129} normal block at 0x000001EAB547DA00, 8 bytes long.
 Data: <  &#173;&#181;&#234;   > 00 00 AD B5 EA 01 00 00 
{3833963} normal block at 0x000001EAB547DC80, 8 bytes long.
 Data: <&#224;&#234; &#183;&#234;   > E0 EA 14 B7 EA 01 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x000001EAB5481E30, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000001EAB5470880, 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 0x000001EAB5486890, 16 bytes long.
 Data: <&#168;sH&#181;&#234;           > A8 73 48 B5 EA 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001EAB5486160, 16 bytes long.
 Data: < sH&#181;&#234;           > 80 73 48 B5 EA 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001EAB547FFC0, 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 0x000001EAB5486110, 16 bytes long.
 Data: <XsH&#181;&#234;           > 58 73 48 B5 EA 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001EAB5486E30, 16 bytes long.
 Data: <0sH&#181;&#234;           > 30 73 48 B5 EA 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001EAB54862F0, 16 bytes long.
 Data: < sH&#181;&#234;           > 08 73 48 B5 EA 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001EAB5486C00, 16 bytes long.
 Data: <&#224;rH&#181;&#234;           > E0 72 48 B5 EA 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001EAB5485600, 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 0x000001EAB54867F0, 16 bytes long.
 Data: <&#248;&#248;G&#181;&#234;           > F8 F8 47 B5 EA 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001EAB54808C0, 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 0x000001EAB54860C0, 16 bytes long.
 Data: <&#208;&#248;G&#181;&#234;           > D0 F8 47 B5 EA 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001EAB5486520, 16 bytes long.
 Data: <&#168;&#248;G&#181;&#234;           > A8 F8 47 B5 EA 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001EAB54867A0, 16 bytes long.
 Data: < &#248;G&#181;&#234;           > 80 F8 47 B5 EA 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001EAB54864D0, 16 bytes long.
 Data: <X&#248;G&#181;&#234;           > 58 F8 47 B5 EA 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001EAB5486D90, 16 bytes long.
 Data: <0&#248;G&#181;&#234;           > 30 F8 47 B5 EA 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001EAB5486BB0, 16 bytes long.
 Data: < &#248;G&#181;&#234;           > 08 F8 47 B5 EA 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001EAB5480200, 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 0x000001EAB5486480, 16 bytes long.
 Data: <&#224;&#247;G&#181;&#234;           > E0 F7 47 B5 EA 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001EAB547F7E0, 320 bytes long.
 Data: < dH&#181;&#234;     H&#181;&#234;   > 80 64 48 B5 EA 01 00 00 00 02 48 B5 EA 01 00 00 
{277} normal block at 0x000001EAB54863E0, 16 bytes long.
 Data: <&#192;rH&#181;&#234;           > C0 72 48 B5 EA 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001EAB54866B0, 16 bytes long.
 Data: < rH&#181;&#234;           > 98 72 48 B5 EA 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001EAB5480140, 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 0x000001EAB5486840, 16 bytes long.
 Data: <prH&#181;&#234;           > 70 72 48 B5 EA 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001EAB54807A0, 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 0x000001EAB5486390, 16 bytes long.
 Data: <&#184;qH&#181;&#234;           > B8 71 48 B5 EA 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001EAB5486ED0, 16 bytes long.
 Data: < qH&#181;&#234;           > 90 71 48 B5 EA 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001EAB5486B60, 16 bytes long.
 Data: <hqH&#181;&#234;           > 68 71 48 B5 EA 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001EAB5486750, 16 bytes long.
 Data: <@qH&#181;&#234;           > 40 71 48 B5 EA 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001EAB54869D0, 16 bytes long.
 Data: < qH&#181;&#234;           > 18 71 48 B5 EA 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001EAB5486D40, 16 bytes long.
 Data: <&#240;pH&#181;&#234;           > F0 70 48 B5 EA 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001EAB5486660, 16 bytes long.
 Data: <&#176;[H&#181;&#234;           > B0 5B 48 B5 EA 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001EAB5485BB0, 40 bytes long.
 Data: <`fH&#181;&#234;   &#192;&#188;#&#183;&#234;   > 60 66 48 B5 EA 01 00 00 C0 BC 23 B7 EA 01 00 00 
{263} normal block at 0x000001EAB5486700, 16 bytes long.
 Data: <&#208;pH&#181;&#234;           > D0 70 48 B5 EA 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001EAB5486430, 16 bytes long.
 Data: <&#168;pH&#181;&#234;           > A8 70 48 B5 EA 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001EAB5480680, 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 0x000001EAB5486F20, 16 bytes long.
 Data: < pH&#181;&#234;           > 80 70 48 B5 EA 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001EAB5487080, 992 bytes long.
 Data: < oH&#181;&#234;     H&#181;&#234;   > 20 6F 48 B5 EA 01 00 00 80 06 48 B5 EA 01 00 00 
{95} normal block at 0x000001EAB547FCC0, 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 0x000001EAB547E4A0, 16 bytes long.
 Data: <@&#223;F&#181;&#234;           > 40 DF 46 B5 EA 01 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x000001EAB546DF40, 40 bytes long.
 Data: <&#160;&#228;G&#181;&#234;   &#192;&#252;G&#181;&#234;   > A0 E4 47 B5 EA 01 00 00 C0 FC 47 B5 EA 01 00 00 
{72} normal block at 0x000001EAB547E7C0, 16 bytes long.
 Data: < &#234;  &#247;           > 80 EA 98 7F F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001EAB547DA50, 16 bytes long.
 Data: <@&#233;  &#247;           > 40 E9 98 7F F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001EAB547E2C0, 16 bytes long.
 Data: <&#248;W&#149; &#247;           > F8 57 95 7F F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001EAB547E450, 16 bytes long.
 Data: <&#216;W&#149; &#247;           > D8 57 95 7F F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001EAB547DC30, 16 bytes long.
 Data: <P &#149; &#247;           > 50 04 95 7F F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001EAB547E090, 16 bytes long.
 Data: <0 &#149; &#247;           > 30 04 95 7F F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001EAB547E220, 16 bytes long.
 Data: <&#224; &#149; &#247;           > E0 02 95 7F F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001EAB547DD70, 16 bytes long.
 Data: <  &#149; &#247;           > 10 04 95 7F F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001EAB547DFF0, 16 bytes long.
 Data: <p &#149; &#247;           > 70 04 95 7F F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001EAB547D910, 16 bytes long.
 Data: < &#192;&#147; &#247;           > 18 C0 93 7F F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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