Task 38670888

Name test_293-GPUGRID_TEST_ATM_40STEP_20261023-18-40-RND4941_0
Workunit 31613113
Created 25 Oct 2026, 18:52:04 UTC
Sent 25 Oct 2026, 18:52:09 UTC
Report deadline 30 Oct 2026, 18:52:09 UTC
Received 25 Oct 2026, 22:02:03 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 574909
Run time 2 hours 52 min 5 sec
CPU time 2 hours 46 min 39 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 2,906.63 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 705.63 MB
Peak swap size 5.21 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
14:10:57 (5428): wrapper (7.9.26016): starting
14:10:57 (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
14:10:59 (5428): Library/usr/bin/tar.exe exited; CPU time 0.000000
14:10:59 (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\0\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\0\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
17:01:41 (5428): C:/Windows/system32/cmd.exe exited; CPU time 9999.859375
17:01:41 (5428): 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: 164738313 bytes.
Dumping objects ->
{3835202} normal block at 0x0000024F49FDC690, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835191} normal block at 0x0000024F482744B0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835180} normal block at 0x0000024F482743D0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835169} normal block at 0x0000024F48274830, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835158} normal block at 0x0000024F482746E0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835127} normal block at 0x0000024F4A027A70, 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) : {3835114} normal block at 0x0000024F4826E350, 8 bytes long.
 Data: <  |HO   > 00 00 7C 48 4F 02 00 00 
{3833965} normal block at 0x0000024F4826E3A0, 8 bytes long.
 Data: <@5 JO   > 40 35 08 4A 4F 02 00 00 
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x0000024F482602F0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x0000024F4825F200, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{298} normal block at 0x0000024F48275990, 16 bytes long.
 Data: <Hb'HO           > 48 62 27 48 4F 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000024F48274E50, 16 bytes long.
 Data: < b'HO           > 20 62 27 48 4F 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000024F48270360, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{295} normal block at 0x0000024F48275580, 16 bytes long.
 Data: <&#248;a'HO           > F8 61 27 48 4F 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000024F48275940, 16 bytes long.
 Data: <&#208;a'HO           > D0 61 27 48 4F 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000024F48275300, 16 bytes long.
 Data: <&#168;a'HO           > A8 61 27 48 4F 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000024F48275AD0, 16 bytes long.
 Data: < a'HO           > 80 61 27 48 4F 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000024F48274280, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{290} normal block at 0x0000024F482758F0, 16 bytes long.
 Data: <H &HO           > 48 1E 26 48 4F 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000024F4826FAC0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{288} normal block at 0x0000024F482753A0, 16 bytes long.
 Data: <  &HO           > 20 1E 26 48 4F 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000024F48275120, 16 bytes long.
 Data: <&#248; &HO           > F8 1D 26 48 4F 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000024F482757B0, 16 bytes long.
 Data: <&#208; &HO           > D0 1D 26 48 4F 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000024F48275350, 16 bytes long.
 Data: <&#168; &HO           > A8 1D 26 48 4F 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000024F482759E0, 16 bytes long.
 Data: <  &HO           > 80 1D 26 48 4F 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000024F482752B0, 16 bytes long.
 Data: <X &HO           > 58 1D 26 48 4F 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000024F482704E0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{280} normal block at 0x0000024F48275030, 16 bytes long.
 Data: <0 &HO           > 30 1D 26 48 4F 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000024F48261D30, 320 bytes long.
 Data: <0P'HO   &#224; 'HO   > 30 50 27 48 4F 02 00 00 E0 04 27 48 4F 02 00 00 
{278} normal block at 0x0000024F482753F0, 16 bytes long.
 Data: <`a'HO           > 60 61 27 48 4F 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000024F48275440, 16 bytes long.
 Data: <8a'HO           > 38 61 27 48 4F 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000024F48270060, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{275} normal block at 0x0000024F48274F40, 16 bytes long.
 Data: < a'HO           > 10 61 27 48 4F 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000024F4826F7C0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{273} normal block at 0x0000024F48275260, 16 bytes long.
 Data: <X`'HO           > 58 60 27 48 4F 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000024F48274DB0, 16 bytes long.
 Data: <0`'HO           > 30 60 27 48 4F 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000024F48275710, 16 bytes long.
 Data: < `'HO           > 08 60 27 48 4F 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000024F48274E00, 16 bytes long.
 Data: <&#224;_'HO           > E0 5F 27 48 4F 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000024F48275760, 16 bytes long.
 Data: <&#184;_'HO           > B8 5F 27 48 4F 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000024F48275800, 16 bytes long.
 Data: < _'HO           > 90 5F 27 48 4F 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000024F48275C60, 16 bytes long.
 Data: < B'HO           > 10 42 27 48 4F 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000024F48274210, 40 bytes long.
 Data: <`\'HO   pz JO   > 60 5C 27 48 4F 02 00 00 70 7A 02 4A 4F 02 00 00 
{264} normal block at 0x0000024F48275530, 16 bytes long.
 Data: <p_'HO           > 70 5F 27 48 4F 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000024F482756C0, 16 bytes long.
 Data: <H_'HO           > 48 5F 27 48 4F 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000024F48270300, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{261} normal block at 0x0000024F48275850, 16 bytes long.
 Data: < _'HO           > 20 5F 27 48 4F 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000024F48275F20, 992 bytes long.
 Data: <PX'HO     'HO   > 50 58 27 48 4F 02 00 00 00 03 27 48 4F 02 00 00 
{96} normal block at 0x0000024F48270180, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{95} normal block at 0x0000024F4826E080, 16 bytes long.
 Data: <`&#242;&HO           > 60 F2 26 48 4F 02 00 00 00 00 00 00 00 00 00 00 
{94} normal block at 0x0000024F4826F260, 40 bytes long.
 Data: < &#224;&HO     'HO   > 80 E0 26 48 4F 02 00 00 80 01 27 48 4F 02 00 00 
{73} normal block at 0x0000024F4826E030, 16 bytes long.
 Data: < &#234; &#241;&#247;           > 80 EA 1C F1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x0000024F4826DCC0, 16 bytes long.
 Data: <@&#233; &#241;&#247;           > 40 E9 1C F1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000024F4826DA40, 16 bytes long.
 Data: <&#248;W &#241;&#247;           > F8 57 19 F1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000024F4826DF40, 16 bytes long.
 Data: <&#216;W &#241;&#247;           > D8 57 19 F1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000024F4826DD60, 16 bytes long.
 Data: <P  &#241;&#247;           > 50 04 19 F1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000024F4826E6C0, 16 bytes long.
 Data: <0  &#241;&#247;           > 30 04 19 F1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000024F4826E1C0, 16 bytes long.
 Data: <&#224;  &#241;&#247;           > E0 02 19 F1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000024F4826E580, 16 bytes long.
 Data: <   &#241;&#247;           > 10 04 19 F1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000024F4826E4E0, 16 bytes long.
 Data: <p  &#241;&#247;           > 70 04 19 F1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000024F4826DB80, 16 bytes long.
 Data: < &#192; &#241;&#247;           > 18 C0 17 F1 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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