Task 38683785

Name test_907-GPUGRID_TEST_ATM_40STEP_20261023-38-40-RND1048_0
Workunit 31625330
Created 27 Oct 2026, 13:19:24 UTC
Sent 27 Oct 2026, 13:19:30 UTC
Report deadline 1 Nov 2026, 13:19:30 UTC
Received 27 Oct 2026, 14:16:37 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 523908
Run time 28 min 55 sec
CPU time 27 min 21 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 56,279.60 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 741.55 MB
Peak swap size 13.04 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.9</core_client_version>
<![CDATA[
<stderr_txt>
14:47:48 (5428): wrapper (7.9.26016): starting
14:47:48 (5428): 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
14:47:49 (5428): Library/usr/bin/tar.exe exited; CPU time 0.000000
14:47:49 (5428): 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\2\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\2\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
15:16:00 (5428): C:/Windows/system32/cmd.exe exited; CPU time 1641.921875
15:16:00 (5428): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 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: 22278171 bytes.
Dumping objects ->
{3835235} normal block at 0x000001FF1C01CA50, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835224} normal block at 0x000001FF1C01D0E0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835213} normal block at 0x000001FF1C01D070, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835202} normal block at 0x000001FF1C01CC80, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835191} normal block at 0x000001FF1A2C4960, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835160} normal block at 0x000001FF1C065600, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835149} normal block at 0x000001FF1C07EB20, 102 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) : {3835146} normal block at 0x000001FF1A2BEA40, 8 bytes long.
 Data: <  x &#255;   > 00 00 78 1A FF 01 00 00 
{3834542} normal block at 0x000001FF1C07E4F0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833961} normal block at 0x000001FF1A2BF6C0, 8 bytes long.
 Data: <&#176;1  &#255;   > B0 31 0C 1C FF 01 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x000001FF1A2C09C0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001FF1A2B6190, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{296} normal block at 0x000001FF1A2C5F40, 16 bytes long.
 Data: < f, &#255;           > 98 66 2C 1A FF 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001FF1A2C55E0, 16 bytes long.
 Data: <pf, &#255;           > 70 66 2C 1A FF 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001FF1A2C01D0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{293} normal block at 0x000001FF1A2C5400, 16 bytes long.
 Data: <Hf, &#255;           > 48 66 2C 1A FF 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001FF1A2C6120, 16 bytes long.
 Data: < f, &#255;           > 20 66 2C 1A FF 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001FF1A2C5E50, 16 bytes long.
 Data: <&#248;e, &#255;           > F8 65 2C 1A FF 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001FF1A2C6300, 16 bytes long.
 Data: <&#208;e, &#255;           > D0 65 2C 1A FF 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001FF1A2C4AB0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{288} normal block at 0x000001FF1A2C62B0, 16 bytes long.
 Data: < &#231;+ &#255;           > 88 E7 2B 1A FF 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001FF1A2C04D0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{286} normal block at 0x000001FF1A2C6260, 16 bytes long.
 Data: <`&#231;+ &#255;           > 60 E7 2B 1A FF 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001FF1A2C54F0, 16 bytes long.
 Data: <8&#231;+ &#255;           > 38 E7 2B 1A FF 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001FF1A2C6210, 16 bytes long.
 Data: < &#231;+ &#255;           > 10 E7 2B 1A FF 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001FF1A2C5FE0, 16 bytes long.
 Data: <&#232;&#230;+ &#255;           > E8 E6 2B 1A FF 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001FF1A2C61C0, 16 bytes long.
 Data: <&#192;&#230;+ &#255;           > C0 E6 2B 1A FF 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001FF1A2C5E00, 16 bytes long.
 Data: < &#230;+ &#255;           > 98 E6 2B 1A FF 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001FF1A2BF9F0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{278} normal block at 0x000001FF1A2C57C0, 16 bytes long.
 Data: <p&#230;+ &#255;           > 70 E6 2B 1A FF 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001FF1A2BE670, 320 bytes long.
 Data: <&#192;W, &#255;   &#240;&#249;+ &#255;   > C0 57 2C 1A FF 01 00 00 F0 F9 2B 1A FF 01 00 00 
{276} normal block at 0x000001FF1A2C6030, 16 bytes long.
 Data: <&#176;e, &#255;           > B0 65 2C 1A FF 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001FF1A2C5D60, 16 bytes long.
 Data: < e, &#255;           > 88 65 2C 1A FF 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001FF1A2C0350, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{273} normal block at 0x000001FF1A2C53B0, 16 bytes long.
 Data: <`e, &#255;           > 60 65 2C 1A FF 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001FF1A2C0170, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{271} normal block at 0x000001FF1A2C56D0, 16 bytes long.
 Data: <&#168;d, &#255;           > A8 64 2C 1A FF 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001FF1A2C5DB0, 16 bytes long.
 Data: < d, &#255;           > 80 64 2C 1A FF 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001FF1A2C5EF0, 16 bytes long.
 Data: <Xd, &#255;           > 58 64 2C 1A FF 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001FF1A2C5AE0, 16 bytes long.
 Data: <0d, &#255;           > 30 64 2C 1A FF 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001FF1A2C6080, 16 bytes long.
 Data: < d, &#255;           > 08 64 2C 1A FF 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001FF1A2C5C20, 16 bytes long.
 Data: <&#224;c, &#255;           > E0 63 2C 1A FF 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001FF1A2C5BD0, 16 bytes long.
 Data: <&#160;N, &#255;           > A0 4E 2C 1A FF 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001FF1A2C4EA0, 40 bytes long.
 Data: <&#208;[, &#255;    V  &#255;   > D0 5B 2C 1A FF 01 00 00 00 56 06 1C FF 01 00 00 
{262} normal block at 0x000001FF1A2C5860, 16 bytes long.
 Data: <&#192;c, &#255;           > C0 63 2C 1A FF 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001FF1A2C5D10, 16 bytes long.
 Data: < c, &#255;           > 98 63 2C 1A FF 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001FF1A2C0290, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{259} normal block at 0x000001FF1A2C5CC0, 16 bytes long.
 Data: <pc, &#255;           > 70 63 2C 1A FF 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001FF1A2C6370, 992 bytes long.
 Data: <&#192;\, &#255;     , &#255;   > C0 5C 2C 1A FF 01 00 00 90 02 2C 1A FF 01 00 00 
{94} normal block at 0x000001FF1A2BFA50, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{93} normal block at 0x000001FF1A2BF1C0, 16 bytes long.
 Data: <pL, &#255;           > 70 4C 2C 1A FF 01 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x000001FF1A2C4C70, 40 bytes long.
 Data: <&#192;&#241;+ &#255;   P&#250;+ &#255;   > C0 F1 2B 1A FF 01 00 00 50 FA 2B 1A FF 01 00 00 
{71} normal block at 0x000001FF1A2BF670, 16 bytes long.
 Data: < &#234;&#204; &#247;           > 80 EA CC 20 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001FF1A2BF580, 16 bytes long.
 Data: <@&#233;&#204; &#247;           > 40 E9 CC 20 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001FF1A2BE860, 16 bytes long.
 Data: <&#248;W&#201; &#247;           > F8 57 C9 20 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001FF1A2BEF40, 16 bytes long.
 Data: <&#216;W&#201; &#247;           > D8 57 C9 20 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001FF1A2BEC20, 16 bytes long.
 Data: <P &#201; &#247;           > 50 04 C9 20 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001FF1A2BF350, 16 bytes long.
 Data: <0 &#201; &#247;           > 30 04 C9 20 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001FF1A2BF620, 16 bytes long.
 Data: <&#224; &#201; &#247;           > E0 02 C9 20 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001FF1A2BF490, 16 bytes long.
 Data: <  &#201; &#247;           > 10 04 C9 20 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001FF1A2BEA90, 16 bytes long.
 Data: <p &#201; &#247;           > 70 04 C9 20 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001FF1A2BEE00, 16 bytes long.
 Data: < &#192;&#199; &#247;           > 18 C0 C7 20 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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