Task 38683485

Name test_105-GPUGRID_TEST_ATM_40STEP_20261023-15-40-RND9917_0
Workunit 31625040
Created 27 Oct 2026, 11:59:15 UTC
Sent 27 Oct 2026, 11:59:27 UTC
Report deadline 1 Nov 2026, 11:59:27 UTC
Received 27 Oct 2026, 13:19:09 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 641051
Run time 21 min 17 sec
CPU time 19 min 5 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 53,456.43 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 747.40 MB
Peak swap size 13.03 GB
Peak disk usage 3.74 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
08:58:57 (36052): wrapper (7.9.26016): starting
08:58:57 (36052): 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
08:58:58 (36052): Library/usr/bin/tar.exe exited; CPU time 0.000000
08:58:58 (36052): 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\31\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\31\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
09:18:20 (36052): C:/Windows/system32/cmd.exe exited; CPU time 1145.968750
09:18:20 (36052): 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: 24751035 bytes.
Dumping objects ->
{3835197} normal block at 0x0000024C5C793DE0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835186} normal block at 0x0000024C5C793D70, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835175} normal block at 0x0000024C5C793C90, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835164} normal block at 0x0000024C5C793D00, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835153} normal block at 0x0000024C5C793C20, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835122} normal block at 0x0000024C5E9798E0, 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) : {3835109} normal block at 0x0000024C5C78DFF0, 8 bytes long.
 Data: <  f\L   > 00 00 66 5C 4C 02 00 00 
{3833959} normal block at 0x0000024C5C78DEB0, 8 bytes long.
 Data: <0  ^L   > 30 13 9D 5E 4C 02 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x0000024C5C785560, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000024C5C790310, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{295} normal block at 0x0000024C5C795270, 16 bytes long.
 Data: < Wy\L           > 98 57 79 5C 4C 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000024C5C795130, 16 bytes long.
 Data: <pWy\L           > 70 57 79 5C 4C 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000024C5C78ED90, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{292} normal block at 0x0000024C5C795040, 16 bytes long.
 Data: <HWy\L           > 48 57 79 5C 4C 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000024C5C794AF0, 16 bytes long.
 Data: < Wy\L           > 20 57 79 5C 4C 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000024C5C795220, 16 bytes long.
 Data: <&#248;Vy\L           > F8 56 79 5C 4C 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000024C5C7950E0, 16 bytes long.
 Data: <&#208;Vy\L           > D0 56 79 5C 4C 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000024C5C793FA0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{287} normal block at 0x0000024C5C794AA0, 16 bytes long.
 Data: <X&#224;w\L           > 58 E0 77 5C 4C 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000024C5C78F570, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{285} normal block at 0x0000024C5C794730, 16 bytes long.
 Data: <0&#224;w\L           > 30 E0 77 5C 4C 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000024C5C795180, 16 bytes long.
 Data: < &#224;w\L           > 08 E0 77 5C 4C 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000024C5C794500, 16 bytes long.
 Data: <&#224;&#223;w\L           > E0 DF 77 5C 4C 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000024C5C794B40, 16 bytes long.
 Data: <&#184;&#223;w\L           > B8 DF 77 5C 4C 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000024C5C7951D0, 16 bytes long.
 Data: < &#223;w\L           > 90 DF 77 5C 4C 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000024C5C7948C0, 16 bytes long.
 Data: <h&#223;w\L           > 68 DF 77 5C 4C 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000024C5C78F390, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{277} normal block at 0x0000024C5C794FA0, 16 bytes long.
 Data: <@&#223;w\L           > 40 DF 77 5C 4C 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000024C5C77DF40, 320 bytes long.
 Data: <&#160;Oy\L    &#243;x\L   > A0 4F 79 5C 4C 02 00 00 90 F3 78 5C 4C 02 00 00 
{275} normal block at 0x0000024C5C794C30, 16 bytes long.
 Data: <&#176;Vy\L           > B0 56 79 5C 4C 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000024C5C794CD0, 16 bytes long.
 Data: < Vy\L           > 88 56 79 5C 4C 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000024C5C78F330, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{272} normal block at 0x0000024C5C794A50, 16 bytes long.
 Data: <`Vy\L           > 60 56 79 5C 4C 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000024C5C78F0F0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{270} normal block at 0x0000024C5C7953B0, 16 bytes long.
 Data: <&#168;Uy\L           > A8 55 79 5C 4C 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000024C5C794870, 16 bytes long.
 Data: < Uy\L           > 80 55 79 5C 4C 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000024C5C794A00, 16 bytes long.
 Data: <XUy\L           > 58 55 79 5C 4C 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000024C5C7952C0, 16 bytes long.
 Data: <0Uy\L           > 30 55 79 5C 4C 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000024C5C794E60, 16 bytes long.
 Data: < Uy\L           > 08 55 79 5C 4C 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000024C5C794BE0, 16 bytes long.
 Data: <&#224;Ty\L           > E0 54 79 5C 4C 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000024C5C7947D0, 16 bytes long.
 Data: <@;y\L           > 40 3B 79 5C 4C 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000024C5C793B40, 40 bytes long.
 Data: <&#208;Gy\L   &#224; &#151;^L   > D0 47 79 5C 4C 02 00 00 E0 98 97 5E 4C 02 00 00 
{261} normal block at 0x0000024C5C794960, 16 bytes long.
 Data: <&#192;Ty\L           > C0 54 79 5C 4C 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000024C5C7949B0, 16 bytes long.
 Data: < Ty\L           > 98 54 79 5C 4C 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000024C5C78F2D0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{258} normal block at 0x0000024C5C794D70, 16 bytes long.
 Data: <pTy\L           > 70 54 79 5C 4C 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000024C5C795470, 992 bytes long.
 Data: <pMy\L   &#208;&#242;x\L   > 70 4D 79 5C 4C 02 00 00 D0 F2 78 5C 4C 02 00 00 
{93} normal block at 0x0000024C5C78EA30, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{92} normal block at 0x0000024C5C78DE10, 16 bytes long.
 Data: < &#194;w\L           > 00 C2 77 5C 4C 02 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x0000024C5C77C200, 40 bytes long.
 Data: < &#222;x\L   0&#234;x\L   > 10 DE 78 5C 4C 02 00 00 30 EA 78 5C 4C 02 00 00 
{70} normal block at 0x0000024C5C78DAA0, 16 bytes long.
 Data: < &#234;! &#246;           > 80 EA 21 0B F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000024C5C78DDC0, 16 bytes long.
 Data: <@&#233;! &#246;           > 40 E9 21 0B F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000024C5C78E3B0, 16 bytes long.
 Data: <&#248;W  &#246;           > F8 57 1E 0B F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000024C5C78DAF0, 16 bytes long.
 Data: <&#216;W  &#246;           > D8 57 1E 0B F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000024C5C78DF50, 16 bytes long.
 Data: <P   &#246;           > 50 04 1E 0B F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000024C5C78E630, 16 bytes long.
 Data: <0   &#246;           > 30 04 1E 0B F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000024C5C78D960, 16 bytes long.
 Data: <&#224;   &#246;           > E0 02 1E 0B F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000024C5C78DE60, 16 bytes long.
 Data: <    &#246;           > 10 04 1E 0B F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000024C5C78E400, 16 bytes long.
 Data: <p   &#246;           > 70 04 1E 0B F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000024C5C78E770, 16 bytes long.
 Data: < &#192;  &#246;           > 18 C0 1C 0B F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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