Task 38686920

Name test_715-GPUGRID_TEST_ATM_40STEP_20261023-27-40-RND4691_0
Workunit 31628329
Created 28 Oct 2026, 5:05:49 UTC
Sent 28 Oct 2026, 5:06:08 UTC
Report deadline 2 Nov 2026, 5:06:08 UTC
Received 28 Oct 2026, 6:40:17 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 606123
Run time 33 min 46 sec
CPU time 31 min 14 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 29,771.31 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 689.12 MB
Peak swap size 9.98 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
08:06:41 (26748): wrapper (7.9.26016): starting
08:06:41 (26748): 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
08:06:43 (26748): Library/usr/bin/tar.exe exited; CPU time 0.000000
08:06:43 (26748): 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\7\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\7\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
08:39:46 (26748): C:/Windows/system32/cmd.exe exited; CPU time 1874.093750
08:39:46 (26748): called boinc_finish(0)
0 bytes in 0 Free Blocks.
616 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: 24394585 bytes.
Dumping objects ->
{3835255} normal block at 0x0000020292613060, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835244} normal block at 0x0000020292613610, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835233} normal block at 0x0000020292613CA0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835222} normal block at 0x0000020292613DF0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835211} normal block at 0x0000020292613D10, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835180} normal block at 0x00000202943AD130, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835169} normal block at 0x00000202943ADCE0, 180 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) : {3835166} normal block at 0x00000202925E58C0, 8 bytes long.
 Data: <  X&#146;    > 00 00 58 92 02 02 00 00 
{3834558} normal block at 0x00000202943AE0A0, 180 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833955} normal block at 0x00000202925E5DC0, 8 bytes long.
 Data: <p&#230;'&#148;    > 70 E6 27 94 02 02 00 00 
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x00000202925EE7A0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000202925D5870, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{293} normal block at 0x00000202925EFB00, 16 bytes long.
 Data: <&#184; _&#146;            > B8 0D 5F 92 02 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000202925EFBF0, 16 bytes long.
 Data: <&#144; _&#146;            > 90 0D 5F 92 02 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000202925EAD10, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{290} normal block at 0x00000202925F0140, 16 bytes long.
 Data: <h _&#146;            > 68 0D 5F 92 02 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000202925EF9C0, 16 bytes long.
 Data: <@ _&#146;            > 40 0D 5F 92 02 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000202925EF970, 16 bytes long.
 Data: <  _&#146;            > 18 0D 5F 92 02 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000202925EF920, 16 bytes long.
 Data: <&#240; _&#146;            > F0 0C 5F 92 02 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000202925E8480, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{285} normal block at 0x00000202925F00F0, 16 bytes long.
 Data: <x ^&#146;            > 78 99 5E 92 02 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000202925EABF0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{283} normal block at 0x00000202925EFBA0, 16 bytes long.
 Data: <P ^&#146;            > 50 99 5E 92 02 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000202925F0870, 16 bytes long.
 Data: <( ^&#146;            > 28 99 5E 92 02 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000202925F0000, 16 bytes long.
 Data: <  ^&#146;            > 00 99 5E 92 02 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000202925F07D0, 16 bytes long.
 Data: <&#216; ^&#146;            > D8 98 5E 92 02 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000202925F0410, 16 bytes long.
 Data: <&#176; ^&#146;            > B0 98 5E 92 02 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000202925F00A0, 16 bytes long.
 Data: <  ^&#146;            > 88 98 5E 92 02 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000202925EA6B0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{275} normal block at 0x00000202925F0780, 16 bytes long.
 Data: <` ^&#146;            > 60 98 5E 92 02 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000202925E9860, 320 bytes long.
 Data: <&#128; _&#146;    &#176;&#166;^&#146;    > 80 07 5F 92 02 02 00 00 B0 A6 5E 92 02 02 00 00 
{273} normal block at 0x00000202925EFAB0, 16 bytes long.
 Data: <&#208; _&#146;            > D0 0C 5F 92 02 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000202925F0690, 16 bytes long.
 Data: <&#168; _&#146;            > A8 0C 5F 92 02 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000202925EA830, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{270} normal block at 0x00000202925EFA10, 16 bytes long.
 Data: <&#128; _&#146;            > 80 0C 5F 92 02 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000202925EA4D0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{268} normal block at 0x00000202925EFFB0, 16 bytes long.
 Data: <&#200; _&#146;            > C8 0B 5F 92 02 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000202925EFF60, 16 bytes long.
 Data: <&#160; _&#146;            > A0 0B 5F 92 02 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000202925EFC40, 16 bytes long.
 Data: <x _&#146;            > 78 0B 5F 92 02 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000202925EFA60, 16 bytes long.
 Data: <P _&#146;            > 50 0B 5F 92 02 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000202925F03C0, 16 bytes long.
 Data: <( _&#146;            > 28 0B 5F 92 02 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000202925F01E0, 16 bytes long.
 Data: <  _&#146;            > 00 0B 5F 92 02 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000202925F0820, 16 bytes long.
 Data: <p ^&#146;            > 70 88 5E 92 02 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000202925E8870, 40 bytes long.
 Data: <  _&#146;    0&#209;:&#148;    > 20 08 5F 92 02 02 00 00 30 D1 3A 94 02 02 00 00 
{259} normal block at 0x00000202925EFE20, 16 bytes long.
 Data: <&#224; _&#146;            > E0 0A 5F 92 02 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000202925F0640, 16 bytes long.
 Data: <&#184; _&#146;            > B8 0A 5F 92 02 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x00000202925EAB90, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{256} normal block at 0x00000202925F0370, 16 bytes long.
 Data: <&#144; _&#146;            > 90 0A 5F 92 02 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x00000202925F0A90, 992 bytes long.
 Data: <p _&#146;    &#144;&#171;^&#146;    > 70 03 5F 92 02 02 00 00 90 AB 5E 92 02 02 00 00 
{91} normal block at 0x00000202925EAA10, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{90} normal block at 0x00000202925E5EB0, 16 bytes long.
 Data: <&#176;&#134;^&#146;            > B0 86 5E 92 02 02 00 00 00 00 00 00 00 00 00 00 
{89} normal block at 0x00000202925E86B0, 40 bytes long.
 Data: <&#176;^^&#146;     &#170;^&#146;    > B0 5E 5E 92 02 02 00 00 10 AA 5E 92 02 02 00 00 
{68} normal block at 0x00000202925E5FA0, 16 bytes long.
 Data: <&#128;&#234; \&#247;           > 80 EA 11 5C F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000202925E5780, 16 bytes long.
 Data: <@&#233; \&#247;           > 40 E9 11 5C F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000202925E5E10, 16 bytes long.
 Data: <&#248;W \&#247;           > F8 57 0E 5C F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000202925E6680, 16 bytes long.
 Data: <&#216;W \&#247;           > D8 57 0E 5C F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000202925E6630, 16 bytes long.
 Data: <P  \&#247;           > 50 04 0E 5C F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000202925E61D0, 16 bytes long.
 Data: <0  \&#247;           > 30 04 0E 5C F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000202925E6590, 16 bytes long.
 Data: <&#224;  \&#247;           > E0 02 0E 5C F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000202925E59B0, 16 bytes long.
 Data: <   \&#247;           > 10 04 0E 5C F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000202925E5BE0, 16 bytes long.
 Data: <p  \&#247;           > 70 04 0E 5C F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x00000202925E6310, 16 bytes long.
 Data: < &#192; \&#247;           > 18 C0 0C 5C F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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