Task 38685521

Name test_564-GPUGRID_TEST_ATM_40STEP_20261023-24-40-RND8186_0
Workunit 31626986
Created 27 Oct 2026, 21:30:08 UTC
Sent 27 Oct 2026, 21:30:11 UTC
Report deadline 1 Nov 2026, 21:30:11 UTC
Received 27 Oct 2026, 22:03:22 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654960
Run time 32 min 14 sec
CPU time 29 min 57 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 798.82 MB
Peak swap size 13.02 GB
Peak disk usage 3.02 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
14:32:24 (23744): wrapper (7.9.26016): starting
14:32:24 (23744): 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
14:32:26 (23744): Library/usr/bin/tar.exe exited; CPU time 0.000000
14:32:26 (23744): 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: Exiting with failure status due to previous errors
15:02:44 (23744): C:/Windows/system32/cmd.exe exited; CPU time 1797.125000
15:02:44 (23744): 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: 42566445 bytes.
Dumping objects ->
{3835451} normal block at 0x0000020EFA1F6AE0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835440} normal block at 0x0000020EFA1F7090, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835429} normal block at 0x0000020EFA1F6B50, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835418} normal block at 0x0000020EFA1F7020, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835407} normal block at 0x0000020EFA1F6FB0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835376} normal block at 0x0000020EFBF3BC70, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835365} normal block at 0x0000020EFBF4EF60, 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) : {3835362} normal block at 0x0000020EFA1EDA50, 8 bytes long.
 Data: <  [&#250;    > 00 00 5B FA 0E 02 00 00 
{3834640} normal block at 0x0000020EFBF4F4E0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833945} normal block at 0x0000020EFA1EE680, 8 bytes long.
 Data: <`&#234;,&#250;    > 60 EA 2C FA 0E 02 00 00 
..\zip\boinc_zip.cpp(122) : {304} normal block at 0x0000020EFA1F0B20, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000020EFA1E1130, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{288} normal block at 0x0000020EFA1F6320, 16 bytes long.
 Data: <Hh &#250;            > 48 68 1F FA 0E 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000020EFA1F5920, 16 bytes long.
 Data: < h &#250;            > 20 68 1F FA 0E 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000020EFA1F2B70, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{285} normal block at 0x0000020EFA1F63C0, 16 bytes long.
 Data: <&#248;g &#250;            > F8 67 1F FA 0E 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000020EFA1F5600, 16 bytes long.
 Data: <&#208;g &#250;            > D0 67 1F FA 0E 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000020EFA1F6280, 16 bytes long.
 Data: <&#168;g &#250;            > A8 67 1F FA 0E 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000020EFA1F6370, 16 bytes long.
 Data: < g &#250;            > 80 67 1F FA 0E 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000020EFA1F6CA0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{280} normal block at 0x0000020EFA1F5F60, 16 bytes long.
 Data: < &#186; &#250;            > 18 BA 1D FA 0E 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000020EFA1F2270, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{278} normal block at 0x0000020EFA1F5970, 16 bytes long.
 Data: <&#240;&#185; &#250;            > F0 B9 1D FA 0E 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000020EFA1F5DD0, 16 bytes long.
 Data: <&#200;&#185; &#250;            > C8 B9 1D FA 0E 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000020EFA1F6140, 16 bytes long.
 Data: <&#160;&#185; &#250;            > A0 B9 1D FA 0E 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000020EFA1F58D0, 16 bytes long.
 Data: <x&#185; &#250;            > 78 B9 1D FA 0E 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000020EFA1F55B0, 16 bytes long.
 Data: <P&#185; &#250;            > 50 B9 1D FA 0E 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000020EFA1F60F0, 16 bytes long.
 Data: <(&#185; &#250;            > 28 B9 1D FA 0E 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000020EFA1F2B10, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{270} normal block at 0x0000020EFA1F6050, 16 bytes long.
 Data: < &#185; &#250;            > 00 B9 1D FA 0E 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000020EFA1DB900, 320 bytes long.
 Data: <P` &#250;     + &#250;    > 50 60 1F FA 0E 02 00 00 10 2B 1F FA 0E 02 00 00 
{268} normal block at 0x0000020EFA1F57E0, 16 bytes long.
 Data: <`g &#250;            > 60 67 1F FA 0E 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000020EFA1F62D0, 16 bytes long.
 Data: <8g &#250;            > 38 67 1F FA 0E 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000020EFA1F2990, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{265} normal block at 0x0000020EFA1F5560, 16 bytes long.
 Data: < g &#250;            > 10 67 1F FA 0E 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000020EFA1F22D0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{263} normal block at 0x0000020EFA1F60A0, 16 bytes long.
 Data: <Xf &#250;            > 58 66 1F FA 0E 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000020EFA1F61E0, 16 bytes long.
 Data: <0f &#250;            > 30 66 1F FA 0E 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000020EFA1F5830, 16 bytes long.
 Data: < f &#250;            > 08 66 1F FA 0E 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000020EFA1F6410, 16 bytes long.
 Data: <&#224;e &#250;            > E0 65 1F FA 0E 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000020EFA1F5880, 16 bytes long.
 Data: <&#184;e &#250;            > B8 65 1F FA 0E 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000020EFA1F6190, 16 bytes long.
 Data: < e &#250;            > 90 65 1F FA 0E 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000020EFA1F5650, 16 bytes long.
 Data: <&#240;&#203; &#250;            > F0 CB 1D FA 0E 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000020EFA1DCBF0, 40 bytes long.
 Data: <PV &#250;    p&#188;&#243;&#251;    > 50 56 1F FA 0E 02 00 00 70 BC F3 FB 0E 02 00 00 
{254} normal block at 0x0000020EFA1F5F10, 16 bytes long.
 Data: <pe &#250;            > 70 65 1F FA 0E 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x0000020EFA1F5FB0, 16 bytes long.
 Data: <He &#250;            > 48 65 1F FA 0E 02 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x0000020EFA1F2210, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{251} normal block at 0x0000020EFA1F56F0, 16 bytes long.
 Data: < e &#250;            > 20 65 1F FA 0E 02 00 00 00 00 00 00 00 00 00 00 
{250} normal block at 0x0000020EFA1F6520, 992 bytes long.
 Data: <&#240;V &#250;     " &#250;    > F0 56 1F FA 0E 02 00 00 10 22 1F FA 0E 02 00 00 
{86} normal block at 0x0000020EFA1F27B0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{85} normal block at 0x0000020EFA1ED870, 16 bytes long.
 Data: < &#221; &#250;            > 10 DD 1D FA 0E 02 00 00 00 00 00 00 00 00 00 00 
{84} normal block at 0x0000020EFA1DDD10, 40 bytes long.
 Data: <p&#216; &#250;    &#176;' &#250;    > 70 D8 1E FA 0E 02 00 00 B0 27 1F FA 0E 02 00 00 
{63} normal block at 0x0000020EFA1EE180, 16 bytes long.
 Data: < &#234;&#165;y&#247;           > 80 EA A5 79 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000020EFA1EE540, 16 bytes long.
 Data: <@&#233;&#165;y&#247;           > 40 E9 A5 79 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000020EFA1ED960, 16 bytes long.
 Data: <&#248;W&#162;y&#247;           > F8 57 A2 79 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000020EFA1EDA00, 16 bytes long.
 Data: <&#216;W&#162;y&#247;           > D8 57 A2 79 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000020EFA1EE6D0, 16 bytes long.
 Data: <P &#162;y&#247;           > 50 04 A2 79 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000020EFA1EDF00, 16 bytes long.
 Data: <0 &#162;y&#247;           > 30 04 A2 79 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000020EFA1EE270, 16 bytes long.
 Data: <&#224; &#162;y&#247;           > E0 02 A2 79 F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x0000020EFA1ED9B0, 16 bytes long.
 Data: <  &#162;y&#247;           > 10 04 A2 79 F7 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x0000020EFA1EE630, 16 bytes long.
 Data: <p &#162;y&#247;           > 70 04 A2 79 F7 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x0000020EFA1ED820, 16 bytes long.
 Data: < &#192;&#160;y&#247;           > 18 C0 A0 79 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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