Task 38684704

Name test_839-GPUGRID_TEST_ATM_40STEP_20261023-36-40-RND2081_0
Workunit 31626211
Created 27 Oct 2026, 17:36:47 UTC
Sent 27 Oct 2026, 17:36:47 UTC
Report deadline 1 Nov 2026, 17:36:47 UTC
Received 27 Oct 2026, 17:54:58 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 609285
Run time 17 min 28 sec
CPU time 16 min 17 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 111,632.43 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 744.47 MB
Peak swap size 13.24 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
10:37:54 (36484): wrapper (7.9.26016): starting
10:37:54 (36484): 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
10:37:55 (36484): Library/usr/bin/tar.exe exited; CPU time 0.000000
10:37:55 (36484): 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\28\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\28\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
10:54:31 (36484): C:/Windows/system32/cmd.exe exited; CPU time 977.406250
10:54:31 (36484): 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: 21942641 bytes.
Dumping objects ->
{3835205} normal block at 0x000001A355CD4D10, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835194} normal block at 0x000001A355CD4C30, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835183} normal block at 0x000001A355CD4BC0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835172} normal block at 0x000001A355CD4CA0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835161} normal block at 0x000001A355CD4F40, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835130} normal block at 0x000001A357ABB090, 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) : {3835117} normal block at 0x000001A355CCE1D0, 8 bytes long.
 Data: <   V&#163;   > 00 00 18 56 A3 01 00 00 
{3833967} normal block at 0x000001A355CCDCD0, 8 bytes long.
 Data: <&#160;8&#177;W&#163;   > A0 38 B1 57 A3 01 00 00 
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x000001A355CD1C50, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x000001A355CC6990, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{299} normal block at 0x000001A355CD5C80, 16 bytes long.
 Data: <&#248;k&#205;U&#163;           > F8 6B CD 55 A3 01 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000001A355CD5C30, 16 bytes long.
 Data: <&#208;k&#205;U&#163;           > D0 6B CD 55 A3 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001A355CCFBA0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{296} normal block at 0x000001A355CD5F00, 16 bytes long.
 Data: <&#168;k&#205;U&#163;           > A8 6B CD 55 A3 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001A355CD5BE0, 16 bytes long.
 Data: < k&#205;U&#163;           > 80 6B CD 55 A3 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001A355CD5B90, 16 bytes long.
 Data: <Xk&#205;U&#163;           > 58 6B CD 55 A3 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001A355CD5AA0, 16 bytes long.
 Data: <0k&#205;U&#163;           > 30 6B CD 55 A3 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001A355CD4FB0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{291} normal block at 0x000001A355CD5A50, 16 bytes long.
 Data: <&#168;&#183;&#203;U&#163;           > A8 B7 CB 55 A3 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001A355CCFA80, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{289} normal block at 0x000001A355CD65E0, 16 bytes long.
 Data: < &#183;&#203;U&#163;           > 80 B7 CB 55 A3 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001A355CD6590, 16 bytes long.
 Data: <X&#183;&#203;U&#163;           > 58 B7 CB 55 A3 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001A355CD64F0, 16 bytes long.
 Data: <0&#183;&#203;U&#163;           > 30 B7 CB 55 A3 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001A355CD62C0, 16 bytes long.
 Data: < &#183;&#203;U&#163;           > 08 B7 CB 55 A3 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001A355CD5A00, 16 bytes long.
 Data: <&#224;&#182;&#203;U&#163;           > E0 B6 CB 55 A3 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001A355CD5960, 16 bytes long.
 Data: <&#184;&#182;&#203;U&#163;           > B8 B6 CB 55 A3 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001A355CCF960, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{281} normal block at 0x000001A355CD6400, 16 bytes long.
 Data: < &#182;&#203;U&#163;           > 90 B6 CB 55 A3 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001A355CBB690, 320 bytes long.
 Data: < d&#205;U&#163;   `&#249;&#204;U&#163;   > 00 64 CD 55 A3 01 00 00 60 F9 CC 55 A3 01 00 00 
{279} normal block at 0x000001A355CD63B0, 16 bytes long.
 Data: < k&#205;U&#163;           > 10 6B CD 55 A3 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001A355CD6860, 16 bytes long.
 Data: <&#232;j&#205;U&#163;           > E8 6A CD 55 A3 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001A355CCF9C0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{276} normal block at 0x000001A355CD6130, 16 bytes long.
 Data: <&#192;j&#205;U&#163;           > C0 6A CD 55 A3 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001A355CCF120, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{274} normal block at 0x000001A355CD64A0, 16 bytes long.
 Data: < j&#205;U&#163;           > 08 6A CD 55 A3 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001A355CD5B40, 16 bytes long.
 Data: <&#224;i&#205;U&#163;           > E0 69 CD 55 A3 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001A355CD6770, 16 bytes long.
 Data: <&#184;i&#205;U&#163;           > B8 69 CD 55 A3 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001A355CD5910, 16 bytes long.
 Data: < i&#205;U&#163;           > 90 69 CD 55 A3 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001A355CD6810, 16 bytes long.
 Data: <hi&#205;U&#163;           > 68 69 CD 55 A3 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001A355CD6720, 16 bytes long.
 Data: <@i&#205;U&#163;           > 40 69 CD 55 A3 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001A355CD66D0, 16 bytes long.
 Data: < P&#205;U&#163;           > 90 50 CD 55 A3 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001A355CD5090, 40 bytes long.
 Data: <&#208;f&#205;U&#163;    &#176;&#171;W&#163;   > D0 66 CD 55 A3 01 00 00 90 B0 AB 57 A3 01 00 00 
{265} normal block at 0x000001A355CD6630, 16 bytes long.
 Data: < i&#205;U&#163;           > 20 69 CD 55 A3 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001A355CD6540, 16 bytes long.
 Data: <&#248;h&#205;U&#163;           > F8 68 CD 55 A3 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001A355CCF8A0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{262} normal block at 0x000001A355CD67C0, 16 bytes long.
 Data: <&#208;h&#205;U&#163;           > D0 68 CD 55 A3 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001A355CD68D0, 992 bytes long.
 Data: <&#192;g&#205;U&#163;   &#160;&#248;&#204;U&#163;   > C0 67 CD 55 A3 01 00 00 A0 F8 CC 55 A3 01 00 00 
{97} normal block at 0x000001A355CCFD80, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{96} normal block at 0x000001A355CCD500, 16 bytes long.
 Data: <@&#236;&#204;U&#163;           > 40 EC CC 55 A3 01 00 00 00 00 00 00 00 00 00 00 
{95} normal block at 0x000001A355CCEC40, 40 bytes long.
 Data: < &#213;&#204;U&#163;    &#253;&#204;U&#163;   > 00 D5 CC 55 A3 01 00 00 80 FD CC 55 A3 01 00 00 
{74} normal block at 0x000001A355CCD3C0, 16 bytes long.
 Data: < &#234;.)&#246;           > 80 EA 2E 29 F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000001A355CCE0E0, 16 bytes long.
 Data: <@&#233;.)&#246;           > 40 E9 2E 29 F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000001A355CCDA50, 16 bytes long.
 Data: <&#248;W+)&#246;           > F8 57 2B 29 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001A355CCE130, 16 bytes long.
 Data: <&#216;W+)&#246;           > D8 57 2B 29 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001A355CCDEB0, 16 bytes long.
 Data: <P +)&#246;           > 50 04 2B 29 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001A355CCDB90, 16 bytes long.
 Data: <0 +)&#246;           > 30 04 2B 29 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001A355CCDF00, 16 bytes long.
 Data: <&#224; +)&#246;           > E0 02 2B 29 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001A355CCD320, 16 bytes long.
 Data: <  +)&#246;           > 10 04 2B 29 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001A355CCDAF0, 16 bytes long.
 Data: <p +)&#246;           > 70 04 2B 29 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001A355CCDA00, 16 bytes long.
 Data: < &#192;))&#246;           > 18 C0 29 29 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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