Task 38658104

Name test_811-GPUGRID_TEST_ATM_2STEP_20261024-0-2-RND3904_0
Workunit 31601708
Created 24 Oct 2026, 12:20:18 UTC
Sent 24 Oct 2026, 13:04:29 UTC
Report deadline 29 Oct 2026, 13:04:29 UTC
Received 24 Oct 2026, 13:38:06 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 429162
Run time 33 min 2 sec
CPU time 30 min 18 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 13,278.76 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 694.63 MB
Peak swap size 3.85 GB
Peak disk usage 2.97 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
15:06:03 (7404): wrapper (7.9.26016): starting
15:06:03 (7404): 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
15:06:05 (7404): Library/usr/bin/tar.exe exited; CPU time 0.000000
15:06:05 (7404): 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 'D:\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 'D:\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
15:37:35 (7404): C:/Windows/system32/cmd.exe exited; CPU time 1818.500000
15:37:35 (7404): called boinc_finish(0)
0 bytes in 0 Free Blocks.
426 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: 30197314 bytes.
Dumping objects ->
{3835280} normal block at 0x000001664D6A79A0, 48 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835269} normal block at 0x000001664D6A7540, 48 bytes long.
 Data: <HOME=D:\ProgramD> 48 4F 4D 45 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835258} normal block at 0x000001664D6A7EE0, 48 bytes long.
 Data: <TMP=D:\ProgramDa> 54 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835247} normal block at 0x000001664D6A7460, 48 bytes long.
 Data: <TEMP=D:\ProgramD> 54 45 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835236} normal block at 0x000001664D6A80A0, 48 bytes long.
 Data: <TMPDIR=D:\Progra> 54 4D 50 44 49 52 3D 44 3A 5C 50 72 6F 67 72 61 
{3835205} normal block at 0x000001664F1D3EA0, 64 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835194} normal block at 0x000001664F1EBCE0, 85 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) : {3835191} normal block at 0x000001664D678090, 8 bytes long.
 Data: <  dMf   > 00 00 64 4D 66 01 00 00 
{3834566} normal block at 0x000001664F1EC960, 85 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 0x000001664D678400, 8 bytes long.
 Data: <&#160;7#Of   > A0 37 23 4F 66 01 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x000001664D682B80, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001664D666890, 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 0x000001664D684840, 16 bytes long.
 Data: <(RhMf           > 28 52 68 4D 66 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001664D684610, 16 bytes long.
 Data: < RhMf           > 00 52 68 4D 66 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001664D67CDF0, 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 0x000001664D6844D0, 16 bytes long.
 Data: <&#216;QhMf           > D8 51 68 4D 66 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001664D6840C0, 16 bytes long.
 Data: <&#176;QhMf           > B0 51 68 4D 66 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001664D683DA0, 16 bytes long.
 Data: < QhMf           > 88 51 68 4D 66 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001664D684110, 16 bytes long.
 Data: <`QhMf           > 60 51 68 4D 66 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001664D67D790, 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 0x000001664D684390, 16 bytes long.
 Data: <(hfMf           > 28 68 66 4D 66 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001664D67C970, 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 0x000001664D684340, 16 bytes long.
 Data: < hfMf           > 00 68 66 4D 66 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001664D6842A0, 16 bytes long.
 Data: <&#216;gfMf           > D8 67 66 4D 66 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001664D684250, 16 bytes long.
 Data: <&#176;gfMf           > B0 67 66 4D 66 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001664D684070, 16 bytes long.
 Data: < gfMf           > 88 67 66 4D 66 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001664D683D50, 16 bytes long.
 Data: <`gfMf           > 60 67 66 4D 66 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001664D6845C0, 16 bytes long.
 Data: <8gfMf           > 38 67 66 4D 66 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001664D67D090, 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 0x000001664D684480, 16 bytes long.
 Data: < gfMf           > 10 67 66 4D 66 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001664D666710, 320 bytes long.
 Data: < DhMf    &#208;gMf   > 80 44 68 4D 66 01 00 00 90 D0 67 4D 66 01 00 00 
{275} normal block at 0x000001664D683F30, 16 bytes long.
 Data: <@QhMf           > 40 51 68 4D 66 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001664D6847A0, 16 bytes long.
 Data: < QhMf           > 18 51 68 4D 66 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001664D67CBB0, 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 0x000001664D6846B0, 16 bytes long.
 Data: <&#240;PhMf           > F0 50 68 4D 66 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001664D67D150, 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 0x000001664D684020, 16 bytes long.
 Data: <8PhMf           > 38 50 68 4D 66 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001664D684430, 16 bytes long.
 Data: < PhMf           > 10 50 68 4D 66 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001664D6848E0, 16 bytes long.
 Data: <&#232;OhMf           > E8 4F 68 4D 66 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001664D684890, 16 bytes long.
 Data: <&#192;OhMf           > C0 4F 68 4D 66 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001664D683E90, 16 bytes long.
 Data: < OhMf           > 98 4F 68 4D 66 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001664D6843E0, 16 bytes long.
 Data: <pOhMf           > 70 4F 68 4D 66 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001664D683D00, 16 bytes long.
 Data: <p&#216;gMf           > 70 D8 67 4D 66 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001664D67D870, 40 bytes long.
 Data: < =hMf   &#160;> Of   > 00 3D 68 4D 66 01 00 00 A0 3E 1D 4F 66 01 00 00 
{261} normal block at 0x000001664D684200, 16 bytes long.
 Data: <POhMf           > 50 4F 68 4D 66 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001664D683EE0, 16 bytes long.
 Data: <(OhMf           > 28 4F 68 4D 66 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001664D67D3F0, 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 0x000001664D6842F0, 16 bytes long.
 Data: < OhMf           > 00 4F 68 4D 66 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001664D684F00, 992 bytes long.
 Data: <&#240;BhMf   &#240;&#211;gMf   > F0 42 68 4D 66 01 00 00 F0 D3 67 4D 66 01 00 00 
{93} normal block at 0x000001664D67CC10, 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 0x000001664D678540, 16 bytes long.
 Data: < &#215;gMf           > 20 D7 67 4D 66 01 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x000001664D67D720, 40 bytes long.
 Data: <@&#133;gMf    &#204;gMf   > 40 85 67 4D 66 01 00 00 10 CC 67 4D 66 01 00 00 
{70} normal block at 0x000001664D677EB0, 16 bytes long.
 Data: < &#234;?&#231;&#247;           > 80 EA 3F E7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001664D678360, 16 bytes long.
 Data: <@&#233;?&#231;&#247;           > 40 E9 3F E7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001664D677A00, 16 bytes long.
 Data: <&#248;W<&#231;&#247;           > F8 57 3C E7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001664D6778C0, 16 bytes long.
 Data: <&#216;W<&#231;&#247;           > D8 57 3C E7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001664D678310, 16 bytes long.
 Data: <P <&#231;&#247;           > 50 04 3C E7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001664D6782C0, 16 bytes long.
 Data: <0 <&#231;&#247;           > 30 04 3C E7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001664D678220, 16 bytes long.
 Data: <&#224; <&#231;&#247;           > E0 02 3C E7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001664D677A50, 16 bytes long.
 Data: <  <&#231;&#247;           > 10 04 3C E7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001664D677820, 16 bytes long.
 Data: <p <&#231;&#247;           > 70 04 3C E7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001664D677C30, 16 bytes long.
 Data: < &#192;:&#231;&#247;           > 18 C0 3A E7 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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