Task 38678484

Name test_974-GPUGRID_TEST_ATM_40STEP_20261023-16-40-RND8588_0
Workunit 31620302
Created 26 Oct 2026, 17:33:46 UTC
Sent 26 Oct 2026, 17:33:53 UTC
Report deadline 31 Oct 2026, 17:33:53 UTC
Received 26 Oct 2026, 20:08:44 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 140554
Run time 30 min 9 sec
CPU time 30 min 9 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 35,585.07 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 722.96 MB
Peak swap size 13.03 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.9</core_client_version>
<![CDATA[
<stderr_txt>
12:40:44 (39284): wrapper (7.9.26016): starting
12:40:44 (39284): 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
12:40:45 (39284): Library/usr/bin/tar.exe exited; CPU time 0.015625
12:40:45 (39284): 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\7\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\7\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
13:08:15 (39284): C:/Windows/system32/cmd.exe exited; CPU time 1809.906250
13:08:15 (39284): 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: 28124357 bytes.
Dumping objects ->
{3835233} normal block at 0x0000020E4AA81170, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835222} normal block at 0x0000020E4AA81020, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835211} normal block at 0x0000020E4AA80F40, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835200} normal block at 0x0000020E4AA81640, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835189} normal block at 0x0000020E4AA80A70, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835158} normal block at 0x0000020E4AB98130, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835147} normal block at 0x0000020E4ABAEED0, 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) : {3835144} normal block at 0x0000020E48F69A20, 8 bytes long.
 Data: <  &#240;H    > 00 00 F0 48 0E 02 00 00 
{3834540} normal block at 0x0000020E4ABAEA00, 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 0x0000020E48F69E80, 8 bytes long.
 Data: < &#235;&#168;J    > 80 EB A8 4A 0E 02 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x0000020E48F73300, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000020E48F5B840, 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 0x0000020E48F746B0, 16 bytes long.
 Data: < f&#247;H            > 88 66 F7 48 0E 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000020E48F750B0, 16 bytes long.
 Data: <`f&#247;H            > 60 66 F7 48 0E 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000020E48F706D0, 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 0x0000020E48F74480, 16 bytes long.
 Data: <8f&#247;H            > 38 66 F7 48 0E 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000020E48F74CA0, 16 bytes long.
 Data: < f&#247;H            > 10 66 F7 48 0E 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000020E48F75240, 16 bytes long.
 Data: <&#232;e&#247;H            > E8 65 F7 48 0E 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000020E48F752E0, 16 bytes long.
 Data: <&#192;e&#247;H            > C0 65 F7 48 0E 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000020E48F6E2E0, 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 0x0000020E48F74DE0, 16 bytes long.
 Data: <&#200;&#220;&#245;H            > C8 DC F5 48 0E 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000020E48F709D0, 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 0x0000020E48F74C50, 16 bytes long.
 Data: <&#160;&#220;&#245;H            > A0 DC F5 48 0E 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000020E48F74FC0, 16 bytes long.
 Data: <x&#220;&#245;H            > 78 DC F5 48 0E 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000020E48F74B60, 16 bytes long.
 Data: <P&#220;&#245;H            > 50 DC F5 48 0E 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000020E48F751F0, 16 bytes long.
 Data: <(&#220;&#245;H            > 28 DC F5 48 0E 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000020E48F74AC0, 16 bytes long.
 Data: < &#220;&#245;H            > 00 DC F5 48 0E 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000020E48F74C00, 16 bytes long.
 Data: <&#216;&#219;&#245;H            > D8 DB F5 48 0E 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000020E48F70010, 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 0x0000020E48F74980, 16 bytes long.
 Data: <&#176;&#219;&#245;H            > B0 DB F5 48 0E 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000020E48F5DBB0, 320 bytes long.
 Data: < I&#247;H      &#247;H    > 80 49 F7 48 0E 02 00 00 10 00 F7 48 0E 02 00 00 
{275} normal block at 0x0000020E48F74D90, 16 bytes long.
 Data: <&#160;e&#247;H            > A0 65 F7 48 0E 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000020E48F749D0, 16 bytes long.
 Data: <xe&#247;H            > 78 65 F7 48 0E 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000020E48F708B0, 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 0x0000020E48F74ED0, 16 bytes long.
 Data: <Pe&#247;H            > 50 65 F7 48 0E 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000020E48F70910, 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 0x0000020E48F747A0, 16 bytes long.
 Data: < d&#247;H            > 98 64 F7 48 0E 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000020E48F74D40, 16 bytes long.
 Data: <pd&#247;H            > 70 64 F7 48 0E 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000020E48F74700, 16 bytes long.
 Data: <Hd&#247;H            > 48 64 F7 48 0E 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000020E48F75010, 16 bytes long.
 Data: < d&#247;H            > 20 64 F7 48 0E 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000020E48F74A70, 16 bytes long.
 Data: <&#248;c&#247;H            > F8 63 F7 48 0E 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000020E48F74930, 16 bytes long.
 Data: <&#208;c&#247;H            > D0 63 F7 48 0E 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000020E48F74520, 16 bytes long.
 Data: < &#232;&#246;H            > 90 E8 F6 48 0E 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000020E48F6E890, 40 bytes long.
 Data: < E&#247;H    0 &#185;J    > 20 45 F7 48 0E 02 00 00 30 81 B9 4A 0E 02 00 00 
{261} normal block at 0x0000020E48F74A20, 16 bytes long.
 Data: <&#176;c&#247;H            > B0 63 F7 48 0E 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000020E48F74F70, 16 bytes long.
 Data: < c&#247;H            > 88 63 F7 48 0E 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000020E48F70B50, 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 0x0000020E48F74B10, 16 bytes long.
 Data: <`c&#247;H            > 60 63 F7 48 0E 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000020E48F76360, 992 bytes long.
 Data: < K&#247;H    P &#247;H    > 10 4B F7 48 0E 02 00 00 50 0B F7 48 0E 02 00 00 
{93} normal block at 0x0000020E48F6FEF0, 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 0x0000020E48F69D40, 16 bytes long.
 Data: <&#240;&#229;&#246;H            > F0 E5 F6 48 0E 02 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x0000020E48F6E5F0, 40 bytes long.
 Data: <@ &#246;H    &#240;&#254;&#246;H    > 40 9D F6 48 0E 02 00 00 F0 FE F6 48 0E 02 00 00 
{70} normal block at 0x0000020E48F69D90, 16 bytes long.
 Data: < &#234; &#245;&#247;           > 80 EA 00 F5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000020E48F69C50, 16 bytes long.
 Data: <@&#233; &#245;&#247;           > 40 E9 00 F5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000020E48F69840, 16 bytes long.
 Data: <&#248;W&#253;&#244;&#247;           > F8 57 FD F4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000020E48F69C00, 16 bytes long.
 Data: <&#216;W&#253;&#244;&#247;           > D8 57 FD F4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000020E48F697A0, 16 bytes long.
 Data: <P &#253;&#244;&#247;           > 50 04 FD F4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000020E48F696B0, 16 bytes long.
 Data: <0 &#253;&#244;&#247;           > 30 04 FD F4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000020E48F6A3D0, 16 bytes long.
 Data: <&#224; &#253;&#244;&#247;           > E0 02 FD F4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000020E48F69CF0, 16 bytes long.
 Data: <  &#253;&#244;&#247;           > 10 04 FD F4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000020E48F69570, 16 bytes long.
 Data: <p &#253;&#244;&#247;           > 70 04 FD F4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000020E48F6A470, 16 bytes long.
 Data: < &#192;&#251;&#244;&#247;           > 18 C0 FB F4 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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