Task 38688264

Name test_426-GPUGRID_TEST_ATM_40STEP_20261023-22-40-RND5205_1
Workunit 31629601
Created 28 Oct 2026, 12:45:14 UTC
Sent 28 Oct 2026, 12:45:18 UTC
Report deadline 2 Nov 2026, 12:45:18 UTC
Received 28 Oct 2026, 14:00:35 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 618086
Run time 53 min 37 sec
CPU time 47 min 43 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 11,339.30 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 736.81 MB
Peak swap size 8.42 GB
Peak disk usage 4.07 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
06:08:51 (33440): wrapper (7.9.26016): starting
06:08:51 (33440): 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
06:08:54 (33440): Library/usr/bin/tar.exe exited; CPU time 0.000000
06:08:54 (33440): 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
06:59:58 (33440): C:/Windows/system32/cmd.exe exited; CPU time 2863.640625
06:59:58 (33440): 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: 58884909 bytes.
Dumping objects ->
{3835458} normal block at 0x000002029D8DD570, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835447} normal block at 0x000002029D8DD9D0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835436} normal block at 0x000002029D8DD6C0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835425} normal block at 0x000002029BBF53C0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835414} normal block at 0x000002029BBF5120, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835383} normal block at 0x000002029D927170, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835372} normal block at 0x000002029D93F9F0, 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) : {3835369} normal block at 0x000002029BBEDCE0, 8 bytes long.
 Data: <  &#164;     > 00 00 A4 9D 02 02 00 00 
{3834654} normal block at 0x000002029D93FCB0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833965} normal block at 0x000002029BBEE730, 8 bytes long.
 Data: < I&#191;&#155;    > 90 49 BF 9B 02 02 00 00 
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x000002029BBF1B40, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000002029BBE71D0, 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 0x000002029BBF6CC0, 16 bytes long.
 Data: <8r&#191;&#155;            > 38 72 BF 9B 02 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000002029BBF64F0, 16 bytes long.
 Data: < r&#191;&#155;            > 10 72 BF 9B 02 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000002029BBF00B0, 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 0x000002029BBF6E50, 16 bytes long.
 Data: <&#232;q&#191;&#155;            > E8 71 BF 9B 02 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000002029BBF6C20, 16 bytes long.
 Data: <&#192;q&#191;&#155;            > C0 71 BF 9B 02 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002029BBF6270, 16 bytes long.
 Data: < q&#191;&#155;            > 98 71 BF 9B 02 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002029BBF61D0, 16 bytes long.
 Data: <pq&#191;&#155;            > 70 71 BF 9B 02 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002029BBF5510, 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 0x000002029BBF6450, 16 bytes long.
 Data: <&#232;&#248;&#189;&#155;            > E8 F8 BD 9B 02 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002029BBEFED0, 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 0x000002029BBF62C0, 16 bytes long.
 Data: <&#192;&#248;&#189;&#155;            > C0 F8 BD 9B 02 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002029BBF5FF0, 16 bytes long.
 Data: < &#248;&#189;&#155;            > 98 F8 BD 9B 02 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002029BBF6400, 16 bytes long.
 Data: <p&#248;&#189;&#155;            > 70 F8 BD 9B 02 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002029BBF63B0, 16 bytes long.
 Data: <H&#248;&#189;&#155;            > 48 F8 BD 9B 02 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002029BBF68B0, 16 bytes long.
 Data: < &#248;&#189;&#155;            > 20 F8 BD 9B 02 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002029BBF65E0, 16 bytes long.
 Data: <&#248;&#247;&#189;&#155;            > F8 F7 BD 9B 02 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002029BBEF990, 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 0x000002029BBF6220, 16 bytes long.
 Data: <&#208;&#247;&#189;&#155;            > D0 F7 BD 9B 02 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002029BBDF7D0, 320 bytes long.
 Data: < b&#191;&#155;     &#249;&#190;&#155;    > 20 62 BF 9B 02 02 00 00 90 F9 BE 9B 02 02 00 00 
{278} normal block at 0x000002029BBF6C70, 16 bytes long.
 Data: <Pq&#191;&#155;            > 50 71 BF 9B 02 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002029BBF6590, 16 bytes long.
 Data: <(q&#191;&#155;            > 28 71 BF 9B 02 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002029BBEFF30, 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 0x000002029BBF66D0, 16 bytes long.
 Data: < q&#191;&#155;            > 00 71 BF 9B 02 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002029BBEF870, 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 0x000002029BBF6A90, 16 bytes long.
 Data: <Hp&#191;&#155;            > 48 70 BF 9B 02 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002029BBF64A0, 16 bytes long.
 Data: < p&#191;&#155;            > 20 70 BF 9B 02 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002029BBF6360, 16 bytes long.
 Data: <&#248;o&#191;&#155;            > F8 6F BF 9B 02 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002029BBF6680, 16 bytes long.
 Data: <&#208;o&#191;&#155;            > D0 6F BF 9B 02 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002029BBF6BD0, 16 bytes long.
 Data: <&#168;o&#191;&#155;            > A8 6F BF 9B 02 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002029BBF6130, 16 bytes long.
 Data: < o&#191;&#155;            > 80 6F BF 9B 02 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002029BBF69F0, 16 bytes long.
 Data: < R&#191;&#155;            > 00 52 BF 9B 02 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002029BBF5200, 40 bytes long.
 Data: <&#240;i&#191;&#155;    pq&#146;     > F0 69 BF 9B 02 02 00 00 70 71 92 9D 02 02 00 00 
{264} normal block at 0x000002029BBF6180, 16 bytes long.
 Data: <`o&#191;&#155;            > 60 6F BF 9B 02 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002029BBF6E00, 16 bytes long.
 Data: <8o&#191;&#155;            > 38 6F BF 9B 02 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002029BBEFA50, 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 0x000002029BBF6B80, 16 bytes long.
 Data: < o&#191;&#155;            > 10 6F BF 9B 02 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000002029BBF6F10, 992 bytes long.
 Data: < k&#191;&#155;    P&#250;&#190;&#155;    > 80 6B BF 9B 02 02 00 00 50 FA BE 9B 02 02 00 00 
{96} normal block at 0x000002029BBEFB70, 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 0x000002029BBED9C0, 16 bytes long.
 Data: <PS&#191;&#155;            > 50 53 BF 9B 02 02 00 00 00 00 00 00 00 00 00 00 
{94} normal block at 0x000002029BBF5350, 40 bytes long.
 Data: <&#192;&#217;&#190;&#155;    p&#251;&#190;&#155;    > C0 D9 BE 9B 02 02 00 00 70 FB BE 9B 02 02 00 00 
{73} normal block at 0x000002029BBEE0A0, 16 bytes long.
 Data: < &#234;  &#246;           > 80 EA 06 0C F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000002029BBEDF60, 16 bytes long.
 Data: <@&#233;  &#246;           > 40 E9 06 0C F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000002029BBEE1E0, 16 bytes long.
 Data: <&#248;W  &#246;           > F8 57 03 0C F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002029BBEDD30, 16 bytes long.
 Data: <&#216;W  &#246;           > D8 57 03 0C F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002029BBED970, 16 bytes long.
 Data: <P   &#246;           > 50 04 03 0C F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002029BBEDB00, 16 bytes long.
 Data: <0   &#246;           > 30 04 03 0C F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002029BBEDB50, 16 bytes long.
 Data: <&#224;   &#246;           > E0 02 03 0C F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002029BBEDAB0, 16 bytes long.
 Data: <    &#246;           > 10 04 03 0C F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002029BBEE000, 16 bytes long.
 Data: <p   &#246;           > 70 04 03 0C F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002029BBEDE70, 16 bytes long.
 Data: < &#192;  &#246;           > 18 C0 01 0C F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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