Task 38683283

Name test_48-GPUGRID_TEST_ATM_40STEP_20261023-37-40-RND5772_0
Workunit 31624857
Created 27 Oct 2026, 11:14:46 UTC
Sent 27 Oct 2026, 11:14:56 UTC
Report deadline 1 Nov 2026, 11:14:56 UTC
Received 27 Oct 2026, 13:18:56 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 652253
Run time 1 hours 1 min 50 sec
CPU time 58 min 46 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 12,168.74 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 741.05 MB
Peak swap size 6.92 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
13:18:16 (7220): wrapper (7.9.26016): starting
13:18:16 (7220): 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
13:18:19 (7220): Library/usr/bin/tar.exe exited; CPU time 0.000000
13:18:19 (7220): 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\13\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\13\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
14:17:51 (7220): C:/Windows/system32/cmd.exe exited; CPU time 3526.875000
14:17:51 (7220): 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: 68233741 bytes.
Dumping objects ->
{3835893} normal block at 0x0000014975205B50, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835882} normal block at 0x0000014975205C30, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835871} normal block at 0x0000014975205F40, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835860} normal block at 0x0000014975205A00, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835849} normal block at 0x0000014975205D10, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835818} normal block at 0x0000014976EC5B90, 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) : {3835805} normal block at 0x00000149751FE9B0, 8 bytes long.
 Data: <   uI   > 00 00 7F 75 49 01 00 00 
{3833957} normal block at 0x00000149751FE730, 8 bytes long.
 Data: <&#224; "uI   > E0 99 22 75 49 01 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x00000149752007F0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000149751F5380, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{294} normal block at 0x0000014975204B90, 16 bytes long.
 Data: <&#248;V uI           > F8 56 20 75 49 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000014975204F00, 16 bytes long.
 Data: <&#208;V uI           > D0 56 20 75 49 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000149751FF840, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{291} normal block at 0x0000014975204E60, 16 bytes long.
 Data: <&#168;V uI           > A8 56 20 75 49 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000014975205180, 16 bytes long.
 Data: < V uI           > 80 56 20 75 49 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000014975204B40, 16 bytes long.
 Data: <XV uI           > 58 56 20 75 49 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000014975204E10, 16 bytes long.
 Data: <0V uI           > 30 56 20 75 49 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000014975205A70, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{286} normal block at 0x0000014975204A00, 16 bytes long.
 Data: <(&#243; uI           > 28 F3 1E 75 49 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000149751FFC00, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{284} normal block at 0x0000014975204C80, 16 bytes long.
 Data: < &#243; uI           > 00 F3 1E 75 49 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000149752049B0, 16 bytes long.
 Data: <&#216;&#242; uI           > D8 F2 1E 75 49 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000014975204870, 16 bytes long.
 Data: <&#176;&#242; uI           > B0 F2 1E 75 49 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000149752044B0, 16 bytes long.
 Data: < &#242; uI           > 88 F2 1E 75 49 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000014975204AF0, 16 bytes long.
 Data: <`&#242; uI           > 60 F2 1E 75 49 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000014975204DC0, 16 bytes long.
 Data: <8&#242; uI           > 38 F2 1E 75 49 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000149751FFD80, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{276} normal block at 0x0000014975204EB0, 16 bytes long.
 Data: < &#242; uI           > 10 F2 1E 75 49 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000149751EF210, 320 bytes long.
 Data: <&#176;N uI    &#253; uI   > B0 4E 20 75 49 01 00 00 80 FD 1F 75 49 01 00 00 
{274} normal block at 0x0000014975205090, 16 bytes long.
 Data: < V uI           > 10 56 20 75 49 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000014975204D70, 16 bytes long.
 Data: <&#232;U uI           > E8 55 20 75 49 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000149751FF4E0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{271} normal block at 0x0000014975204910, 16 bytes long.
 Data: <&#192;U uI           > C0 55 20 75 49 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000149751FF1E0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{269} normal block at 0x0000014975204BE0, 16 bytes long.
 Data: < U uI           > 08 55 20 75 49 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000014975204550, 16 bytes long.
 Data: <&#224;T uI           > E0 54 20 75 49 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000014975204D20, 16 bytes long.
 Data: <&#184;T uI           > B8 54 20 75 49 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000014975204460, 16 bytes long.
 Data: < T uI           > 90 54 20 75 49 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000014975204820, 16 bytes long.
 Data: <hT uI           > 68 54 20 75 49 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000014975205220, 16 bytes long.
 Data: <@T uI           > 40 54 20 75 49 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000149752047D0, 16 bytes long.
 Data: <&#224;&#227; uI           > E0 E3 1E 75 49 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000149751EE3E0, 40 bytes long.
 Data: <&#208;G uI    [&#236;vI   > D0 47 20 75 49 01 00 00 90 5B EC 76 49 01 00 00 
{260} normal block at 0x0000014975204A50, 16 bytes long.
 Data: < T uI           > 20 54 20 75 49 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000014975204730, 16 bytes long.
 Data: <&#248;S uI           > F8 53 20 75 49 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000149751FF960, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{257} normal block at 0x0000014975204500, 16 bytes long.
 Data: <&#208;S uI           > D0 53 20 75 49 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x00000149752053D0, 992 bytes long.
 Data: < E uI   `&#249; uI   > 00 45 20 75 49 01 00 00 60 F9 1F 75 49 01 00 00 
{92} normal block at 0x00000149751FF6C0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{91} normal block at 0x00000149751FEE60, 16 bytes long.
 Data: <&#240;&#220; uI           > F0 DC 1E 75 49 01 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x00000149751EDCF0, 40 bytes long.
 Data: <`&#238; uI   &#192;&#246; uI   > 60 EE 1F 75 49 01 00 00 C0 F6 1F 75 49 01 00 00 
{69} normal block at 0x00000149751FE2D0, 16 bytes long.
 Data: < &#234;&#251;&#253;&#247;           > 80 EA FB FD F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000149751FE6E0, 16 bytes long.
 Data: <@&#233;&#251;&#253;&#247;           > 40 E9 FB FD F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000149751FE410, 16 bytes long.
 Data: <&#248;W&#248;&#253;&#247;           > F8 57 F8 FD F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000149751FEC30, 16 bytes long.
 Data: <&#216;W&#248;&#253;&#247;           > D8 57 F8 FD F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000149751FE230, 16 bytes long.
 Data: <P &#248;&#253;&#247;           > 50 04 F8 FD F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000149751FE370, 16 bytes long.
 Data: <0 &#248;&#253;&#247;           > 30 04 F8 FD F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000149751FE050, 16 bytes long.
 Data: <&#224; &#248;&#253;&#247;           > E0 02 F8 FD F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000149751FE280, 16 bytes long.
 Data: <  &#248;&#253;&#247;           > 10 04 F8 FD F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000149751FE690, 16 bytes long.
 Data: <p &#248;&#253;&#247;           > 70 04 F8 FD F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000149751FEE10, 16 bytes long.
 Data: < &#192;&#246;&#253;&#247;           > 18 C0 F6 FD F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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