Task 38680379

Name test_884-GPUGRID_TEST_ATM_40STEP_20261023-26-40-RND0240_0
Workunit 31622101
Created 26 Oct 2026, 23:44:20 UTC
Sent 26 Oct 2026, 23:44:27 UTC
Report deadline 31 Oct 2026, 23:44:27 UTC
Received 27 Oct 2026, 1:21:34 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 651831
Run time 31 min 54 sec
CPU time 27 min 41 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 19,472.42 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 760.23 MB
Peak swap size 12.93 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
20:50:03 (15240): wrapper (7.9.26016): starting
20:50:03 (15240): 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
20:50:05 (15240): Library/usr/bin/tar.exe exited; CPU time 0.000000
20:50:05 (15240): 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\30\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\30\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
21:20:45 (15240): C:/Windows/system32/cmd.exe exited; CPU time 1661.718750
21:20:45 (15240): called boinc_finish(0)
0 bytes in 0 Free Blocks.
536 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: 32206289 bytes.
Dumping objects ->
{3835536} normal block at 0x0000018D8DF5C660, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835525} normal block at 0x0000018D8C1C4C40, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835514} normal block at 0x0000018D8C1C4D20, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835503} normal block at 0x0000018D8C1C4A10, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835492} normal block at 0x0000018D8C1C49A0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835461} normal block at 0x0000018D8DFAAF40, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835450} normal block at 0x0000018D8C22A270, 140 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) : {3835447} normal block at 0x0000018D8C1BF2C0, 8 bytes long.
 Data: <  m&#140;    > 00 00 6D 8C 8D 01 00 00 
{3834695} normal block at 0x0000018D8C22A5B0, 140 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833963} normal block at 0x0000018D8C1BF630, 8 bytes long.
 Data: <`S &#142;    > 60 53 03 8E 8D 01 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x0000018D8C1C0E30, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000018D8C1B5F70, 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 0x0000018D8C1C5EB0, 16 bytes long.
 Data: <Hg &#140;            > 48 67 1C 8C 8D 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000018D8C1C5DC0, 16 bytes long.
 Data: < g &#140;            > 20 67 1C 8C 8D 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000018D8C1BFD40, 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 0x0000018D8C1C5500, 16 bytes long.
 Data: <&#248;f &#140;            > F8 66 1C 8C 8D 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000018D8C1C5870, 16 bytes long.
 Data: <&#208;f &#140;            > D0 66 1C 8C 8D 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000018D8C1C6130, 16 bytes long.
 Data: <&#168;f &#140;            > A8 66 1C 8C 8D 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000018D8C1C5E60, 16 bytes long.
 Data: < f &#140;            > 80 66 1C 8C 8D 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000018D8C1C4E00, 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 0x0000018D8C1C5CD0, 16 bytes long.
 Data: <&#168;&#231; &#140;            > A8 E7 1B 8C 8D 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000018D8C1BFCE0, 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 0x0000018D8C1C5B40, 16 bytes long.
 Data: < &#231; &#140;            > 80 E7 1B 8C 8D 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000018D8C1C5820, 16 bytes long.
 Data: <X&#231; &#140;            > 58 E7 1B 8C 8D 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000018D8C1C60E0, 16 bytes long.
 Data: <0&#231; &#140;            > 30 E7 1B 8C 8D 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000018D8C1C6040, 16 bytes long.
 Data: < &#231; &#140;            > 08 E7 1B 8C 8D 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000018D8C1C5A50, 16 bytes long.
 Data: <&#224;&#230; &#140;            > E0 E6 1B 8C 8D 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000018D8C1C55A0, 16 bytes long.
 Data: <&#184;&#230; &#140;            > B8 E6 1B 8C 8D 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000018D8C1C07C0, 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 0x0000018D8C1C6270, 16 bytes long.
 Data: < &#230; &#140;            > 90 E6 1B 8C 8D 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000018D8C1BE690, 320 bytes long.
 Data: <pb &#140;    &#192;  &#140;    > 70 62 1C 8C 8D 01 00 00 C0 07 1C 8C 8D 01 00 00 
{277} normal block at 0x0000018D8C1C5C30, 16 bytes long.
 Data: <`f &#140;            > 60 66 1C 8C 8D 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000018D8C1C5960, 16 bytes long.
 Data: <8f &#140;            > 38 66 1C 8C 8D 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000018D8C1C0760, 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 0x0000018D8C1C6090, 16 bytes long.
 Data: < f &#140;            > 10 66 1C 8C 8D 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000018D8C1C06A0, 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 0x0000018D8C1C5BE0, 16 bytes long.
 Data: <Xe &#140;            > 58 65 1C 8C 8D 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000018D8C1C5A00, 16 bytes long.
 Data: <0e &#140;            > 30 65 1C 8C 8D 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000018D8C1C57D0, 16 bytes long.
 Data: < e &#140;            > 08 65 1C 8C 8D 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000018D8C1C6180, 16 bytes long.
 Data: <&#224;d &#140;            > E0 64 1C 8C 8D 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000018D8C1C5AA0, 16 bytes long.
 Data: <&#184;d &#140;            > B8 64 1C 8C 8D 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000018D8C1C5730, 16 bytes long.
 Data: < d &#140;            > 90 64 1C 8C 8D 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000018D8C1C5C80, 16 bytes long.
 Data: <&#192;H &#140;            > C0 48 1C 8C 8D 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000018D8C1C48C0, 40 bytes long.
 Data: < \ &#140;    @&#175;&#250;     > 80 5C 1C 8C 8D 01 00 00 40 AF FA 8D 8D 01 00 00 
{263} normal block at 0x0000018D8C1C58C0, 16 bytes long.
 Data: <pd &#140;            > 70 64 1C 8C 8D 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000018D8C1C5FF0, 16 bytes long.
 Data: <Hd &#140;            > 48 64 1C 8C 8D 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000018D8C1BFBC0, 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 0x0000018D8C1C5780, 16 bytes long.
 Data: < d &#140;            > 20 64 1C 8C 8D 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000018D8C1C6420, 992 bytes long.
 Data: < W &#140;    &#192;&#251; &#140;    > 80 57 1C 8C 8D 01 00 00 C0 FB 1B 8C 8D 01 00 00 
{95} normal block at 0x0000018D8C1BFDA0, 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 0x0000018D8C1BF090, 16 bytes long.
 Data: <@&#212; &#140;            > 40 D4 1A 8C 8D 01 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x0000018D8C1AD440, 40 bytes long.
 Data: < &#240; &#140;    &#160;&#253; &#140;    > 90 F0 1B 8C 8D 01 00 00 A0 FD 1B 8C 8D 01 00 00 
{72} normal block at 0x0000018D8C1BF310, 16 bytes long.
 Data: < &#234;&#215;&#243;&#246;           > 80 EA D7 F3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000018D8C1BF590, 16 bytes long.
 Data: <@&#233;&#215;&#243;&#246;           > 40 E9 D7 F3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000018D8C1BF180, 16 bytes long.
 Data: <&#248;W&#212;&#243;&#246;           > F8 57 D4 F3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000018D8C1BEAF0, 16 bytes long.
 Data: <&#216;W&#212;&#243;&#246;           > D8 57 D4 F3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000018D8C1BF040, 16 bytes long.
 Data: <P &#212;&#243;&#246;           > 50 04 D4 F3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000018D8C1BE9B0, 16 bytes long.
 Data: <0 &#212;&#243;&#246;           > 30 04 D4 F3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000018D8C1BEBE0, 16 bytes long.
 Data: <&#224; &#212;&#243;&#246;           > E0 02 D4 F3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000018D8C1BF540, 16 bytes long.
 Data: <  &#212;&#243;&#246;           > 10 04 D4 F3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000018D8C1BF4A0, 16 bytes long.
 Data: <p &#212;&#243;&#246;           > 70 04 D4 F3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000018D8C1BEF50, 16 bytes long.
 Data: < &#192;&#210;&#243;&#246;           > 18 C0 D2 F3 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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