Task 38660340

Name test_706-GPUGRID_TEST_ATM_40STEP_20261023-5-40-RND2434_0
Workunit 31603856
Created 24 Oct 2026, 14:01:54 UTC
Sent 24 Oct 2026, 14:06:30 UTC
Report deadline 29 Oct 2026, 14:06:30 UTC
Received 24 Oct 2026, 16:05:31 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 630396
Run time 1 hours 6 min 58 sec
CPU time 1 hours 0 min 47 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 9,956.90 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 747.61 MB
Peak swap size 9.18 GB
Peak disk usage 4.05 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
17:01:48 (49880): wrapper (7.9.26016): starting
17:01:48 (49880): 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
17:01:52 (49880): Library/usr/bin/tar.exe exited; CPU time 0.031250
17:01:52 (49880): 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\22\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\22\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
18:04:52 (49880): C:/Windows/system32/cmd.exe exited; CPU time 3647.203125
18:04:52 (49880): 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: 71196409 bytes.
Dumping objects ->
{3835467} normal block at 0x0000019BBACC6580, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835456} normal block at 0x0000019BBACC6120, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835445} normal block at 0x0000019BBACC60B0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835434} normal block at 0x0000019BBACC6350, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835423} normal block at 0x0000019BBACC62E0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835392} normal block at 0x0000019BBCA4A5B0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835381} normal block at 0x0000019BBCA5E600, 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) : {3835378} normal block at 0x0000019BBACBF180, 8 bytes long.
 Data: <  &#200;&#186;&#155;   > 00 00 C8 BA 9B 01 00 00 
{3834657} normal block at 0x0000019BBCA5E4A0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833959} normal block at 0x0000019BBACBF400, 8 bytes long.
 Data: <0&#234;&#217;&#186;&#155;   > 30 EA D9 BA 9B 01 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x0000019BBACC12E0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000019BBACB6350, 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 0x0000019BBACC4850, 16 bytes long.
 Data: <&#168;]&#204;&#186;&#155;           > A8 5D CC BA 9B 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000019BBACC4E90, 16 bytes long.
 Data: < ]&#204;&#186;&#155;           > 80 5D CC BA 9B 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000019BBACBF9D0, 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 0x0000019BBACC51B0, 16 bytes long.
 Data: <X]&#204;&#186;&#155;           > 58 5D CC BA 9B 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000019BBACC4940, 16 bytes long.
 Data: <0]&#204;&#186;&#155;           > 30 5D CC BA 9B 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000019BBACC4DF0, 16 bytes long.
 Data: < ]&#204;&#186;&#155;           > 08 5D CC BA 9B 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000019BBACC5160, 16 bytes long.
 Data: <&#224;\&#204;&#186;&#155;           > E0 5C CC BA 9B 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000019BBACC6200, 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 0x0000019BBACC4800, 16 bytes long.
 Data: <( &#203;&#186;&#155;           > 28 90 CB BA 9B 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000019BBACC00F0, 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 0x0000019BBACC4C10, 16 bytes long.
 Data: <  &#203;&#186;&#155;           > 00 90 CB BA 9B 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000019BBACC4DA0, 16 bytes long.
 Data: <&#216; &#203;&#186;&#155;           > D8 8F CB BA 9B 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000019BBACC4710, 16 bytes long.
 Data: <&#176; &#203;&#186;&#155;           > B0 8F CB BA 9B 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000019BBACC46C0, 16 bytes long.
 Data: <  &#203;&#186;&#155;           > 88 8F CB BA 9B 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000019BBACC4E40, 16 bytes long.
 Data: <` &#203;&#186;&#155;           > 60 8F CB BA 9B 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000019BBACC4BC0, 16 bytes long.
 Data: <8 &#203;&#186;&#155;           > 38 8F CB BA 9B 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000019BBACC0090, 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 0x0000019BBACC4B20, 16 bytes long.
 Data: <  &#203;&#186;&#155;           > 10 8F CB BA 9B 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000019BBACB8F10, 320 bytes long.
 Data: < K&#204;&#186;&#155;     &#204;&#186;&#155;   > 20 4B CC BA 9B 01 00 00 90 00 CC BA 9B 01 00 00 
{275} normal block at 0x0000019BBACC4A80, 16 bytes long.
 Data: <&#192;\&#204;&#186;&#155;           > C0 5C CC BA 9B 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000019BBACC4D50, 16 bytes long.
 Data: < \&#204;&#186;&#155;           > 98 5C CC BA 9B 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000019BBACBF7F0, 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 0x0000019BBACC4A30, 16 bytes long.
 Data: <p\&#204;&#186;&#155;           > 70 5C CC BA 9B 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000019BBACBFD30, 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 0x0000019BBACC5570, 16 bytes long.
 Data: <&#184;[&#204;&#186;&#155;           > B8 5B CC BA 9B 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000019BBACC5520, 16 bytes long.
 Data: < [&#204;&#186;&#155;           > 90 5B CC BA 9B 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000019BBACC5480, 16 bytes long.
 Data: <h[&#204;&#186;&#155;           > 68 5B CC BA 9B 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000019BBACC5200, 16 bytes long.
 Data: <@[&#204;&#186;&#155;           > 40 5B CC BA 9B 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000019BBACC4F30, 16 bytes long.
 Data: < [&#204;&#186;&#155;           > 18 5B CC BA 9B 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000019BBACC54D0, 16 bytes long.
 Data: <&#240;Z&#204;&#186;&#155;           > F0 5A CC BA 9B 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000019BBACC55C0, 16 bytes long.
 Data: <P&#194;&#202;&#186;&#155;           > 50 C2 CA BA 9B 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000019BBACAC250, 40 bytes long.
 Data: <&#192;U&#204;&#186;&#155;   &#176;&#165;&#164;&#188;&#155;   > C0 55 CC BA 9B 01 00 00 B0 A5 A4 BC 9B 01 00 00 
{261} normal block at 0x0000019BBACC4F80, 16 bytes long.
 Data: <&#208;Z&#204;&#186;&#155;           > D0 5A CC BA 9B 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000019BBACC5610, 16 bytes long.
 Data: <&#168;Z&#204;&#186;&#155;           > A8 5A CC BA 9B 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000019BBACBF790, 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 0x0000019BBACC5430, 16 bytes long.
 Data: < Z&#204;&#186;&#155;           > 80 5A CC BA 9B 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000019BBACC5A80, 992 bytes long.
 Data: <0T&#204;&#186;&#155;    &#247;&#203;&#186;&#155;   > 30 54 CC BA 9B 01 00 00 90 F7 CB BA 9B 01 00 00 
{93} normal block at 0x0000019BBACC0630, 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 0x0000019BBACBEF00, 16 bytes long.
 Data: <&#160;&#211;&#202;&#186;&#155;           > A0 D3 CA BA 9B 01 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x0000019BBACAD3A0, 40 bytes long.
 Data: < &#239;&#203;&#186;&#155;   0 &#204;&#186;&#155;   > 00 EF CB BA 9B 01 00 00 30 06 CC BA 9B 01 00 00 
{70} normal block at 0x0000019BBACBE7D0, 16 bytes long.
 Data: < &#234;&#233;&#244;&#247;           > 80 EA E9 F4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000019BBACBECD0, 16 bytes long.
 Data: <@&#233;&#233;&#244;&#247;           > 40 E9 E9 F4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000019BBACBF0E0, 16 bytes long.
 Data: <&#248;W&#230;&#244;&#247;           > F8 57 E6 F4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000019BBACBF090, 16 bytes long.
 Data: <&#216;W&#230;&#244;&#247;           > D8 57 E6 F4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000019BBACBF630, 16 bytes long.
 Data: <P &#230;&#244;&#247;           > 50 04 E6 F4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000019BBACBEEB0, 16 bytes long.
 Data: <0 &#230;&#244;&#247;           > 30 04 E6 F4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000019BBACBEF50, 16 bytes long.
 Data: <&#224; &#230;&#244;&#247;           > E0 02 E6 F4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000019BBACBEC80, 16 bytes long.
 Data: <  &#230;&#244;&#247;           > 10 04 E6 F4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000019BBACBF130, 16 bytes long.
 Data: <p &#230;&#244;&#247;           > 70 04 E6 F4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000019BBACBF3B0, 16 bytes long.
 Data: < &#192;&#228;&#244;&#247;           > 18 C0 E4 F4 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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