Task 38676985

Name test_240-GPUGRID_TEST_ATM_40STEP_20261023-34-40-RND6254_0
Workunit 31618876
Created 26 Oct 2026, 12:54:50 UTC
Sent 26 Oct 2026, 12:54:58 UTC
Report deadline 31 Oct 2026, 12:54:58 UTC
Received 26 Oct 2026, 13:41:31 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 606795
Run time 44 min 2 sec
CPU time 39 min 39 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 12,741.16 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 676.74 MB
Peak swap size 5.34 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
06:56:30 (66016): wrapper (7.9.26016): starting
06:56:30 (66016): 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
06:56:31 (66016): Library/usr/bin/tar.exe exited; CPU time 0.015625
06:56:31 (66016): 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\12\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\12\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
07:40:09 (66016): C:/Windows/system32/cmd.exe exited; CPU time 2379.906250
07:40:09 (66016): called boinc_finish(0)
0 bytes in 0 Free Blocks.
536 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: 56089727 bytes.
Dumping objects ->
{3835232} normal block at 0x0000019CDD6BC9E0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835221} normal block at 0x0000019CDB884D60, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835210} normal block at 0x0000019CDB884BA0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835199} normal block at 0x0000019CDB884A50, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835188} normal block at 0x0000019CDB884900, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835157} normal block at 0x0000019CDD708F20, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835146} normal block at 0x0000019CDB8EA320, 140 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) : {3835143} normal block at 0x0000019CDB87EDD0, 8 bytes long.
 Data: <  &#220;&#219;&#156;   > 00 00 DC DB 9C 01 00 00 
{3834543} normal block at 0x0000019CDB8EA800, 140 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833961} normal block at 0x0000019CDB87EC40, 8 bytes long.
 Data: <`Jy&#221;&#156;   > 60 4A 79 DD 9C 01 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x0000019CDB880DA0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000019CDB876780, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{296} normal block at 0x0000019CDB885F60, 16 bytes long.
 Data: <&#248;g &#219;&#156;           > F8 67 88 DB 9C 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000019CDB885560, 16 bytes long.
 Data: <&#208;g &#219;&#156;           > D0 67 88 DB 9C 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000019CDB87FA90, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{293} normal block at 0x0000019CDB885920, 16 bytes long.
 Data: <&#168;g &#219;&#156;           > A8 67 88 DB 9C 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000019CDB885E20, 16 bytes long.
 Data: < g &#219;&#156;           > 80 67 88 DB 9C 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000019CDB8858D0, 16 bytes long.
 Data: <Xg &#219;&#156;           > 58 67 88 DB 9C 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000019CDB885D30, 16 bytes long.
 Data: <0g &#219;&#156;           > 30 67 88 DB 9C 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000019CDB884970, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{288} normal block at 0x0000019CDB885510, 16 bytes long.
 Data: <&#200;&#231;&#135;&#219;&#156;           > C8 E7 87 DB 9C 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000019CDB8805D0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{286} normal block at 0x0000019CDB885C40, 16 bytes long.
 Data: <&#160;&#231;&#135;&#219;&#156;           > A0 E7 87 DB 9C 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000019CDB886320, 16 bytes long.
 Data: <x&#231;&#135;&#219;&#156;           > 78 E7 87 DB 9C 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000019CDB885BF0, 16 bytes long.
 Data: <P&#231;&#135;&#219;&#156;           > 50 E7 87 DB 9C 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000019CDB885B50, 16 bytes long.
 Data: <(&#231;&#135;&#219;&#156;           > 28 E7 87 DB 9C 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000019CDB885BA0, 16 bytes long.
 Data: < &#231;&#135;&#219;&#156;           > 00 E7 87 DB 9C 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000019CDB885CE0, 16 bytes long.
 Data: <&#216;&#230;&#135;&#219;&#156;           > D8 E6 87 DB 9C 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000019CDB880450, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{278} normal block at 0x0000019CDB886460, 16 bytes long.
 Data: <&#176;&#230;&#135;&#219;&#156;           > B0 E6 87 DB 9C 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000019CDB87E6B0, 320 bytes long.
 Data: <`d &#219;&#156;   P  &#219;&#156;   > 60 64 88 DB 9C 01 00 00 50 04 88 DB 9C 01 00 00 
{276} normal block at 0x0000019CDB885650, 16 bytes long.
 Data: < g &#219;&#156;           > 10 67 88 DB 9C 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000019CDB885880, 16 bytes long.
 Data: <&#232;f &#219;&#156;           > E8 66 88 DB 9C 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000019CDB880270, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{273} normal block at 0x0000019CDB885830, 16 bytes long.
 Data: <&#192;f &#219;&#156;           > C0 66 88 DB 9C 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000019CDB880210, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{271} normal block at 0x0000019CDB885600, 16 bytes long.
 Data: < f &#219;&#156;           > 08 66 88 DB 9C 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000019CDB8863C0, 16 bytes long.
 Data: <&#224;e &#219;&#156;           > E0 65 88 DB 9C 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000019CDB8861E0, 16 bytes long.
 Data: <&#184;e &#219;&#156;           > B8 65 88 DB 9C 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000019CDB885AB0, 16 bytes long.
 Data: < e &#219;&#156;           > 90 65 88 DB 9C 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000019CDB885F10, 16 bytes long.
 Data: <he &#219;&#156;           > 68 65 88 DB 9C 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000019CDB8862D0, 16 bytes long.
 Data: <@e &#219;&#156;           > 40 65 88 DB 9C 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000019CDB885B00, 16 bytes long.
 Data: < L &#219;&#156;           > 10 4C 88 DB 9C 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000019CDB884C10, 40 bytes long.
 Data: < [ &#219;&#156;     p&#221;&#156;   > 00 5B 88 DB 9C 01 00 00 20 8F 70 DD 9C 01 00 00 
{262} normal block at 0x0000019CDB885DD0, 16 bytes long.
 Data: < e &#219;&#156;           > 20 65 88 DB 9C 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000019CDB885E70, 16 bytes long.
 Data: <&#248;d &#219;&#156;           > F8 64 88 DB 9C 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000019CDB8803F0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{259} normal block at 0x0000019CDB886190, 16 bytes long.
 Data: <&#208;d &#219;&#156;           > D0 64 88 DB 9C 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000019CDB8864D0, 992 bytes long.
 Data: < a &#219;&#156;   &#240;  &#219;&#156;   > 90 61 88 DB 9C 01 00 00 F0 03 88 DB 9C 01 00 00 
{94} normal block at 0x0000019CDB87FFD0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{93} normal block at 0x0000019CDB87F7D0, 16 bytes long.
 Data: <&#192;&#230;&#134;&#219;&#156;           > C0 E6 86 DB 9C 01 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x0000019CDB86E6C0, 40 bytes long.
 Data: <&#208;&#247;&#135;&#219;&#156;   &#208;&#255;&#135;&#219;&#156;   > D0 F7 87 DB 9C 01 00 00 D0 FF 87 DB 9C 01 00 00 
{71} normal block at 0x0000019CDB87F870, 16 bytes long.
 Data: < &#234;&#159;&#172;&#247;           > 80 EA 9F AC F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000019CDB87F820, 16 bytes long.
 Data: <@&#233;&#159;&#172;&#247;           > 40 E9 9F AC F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000019CDB87F230, 16 bytes long.
 Data: <&#248;W&#156;&#172;&#247;           > F8 57 9C AC F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000019CDB87EBA0, 16 bytes long.
 Data: <&#216;W&#156;&#172;&#247;           > D8 57 9C AC F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000019CDB87F050, 16 bytes long.
 Data: <P &#156;&#172;&#247;           > 50 04 9C AC F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000019CDB87F5A0, 16 bytes long.
 Data: <0 &#156;&#172;&#247;           > 30 04 9C AC F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000019CDB87F0F0, 16 bytes long.
 Data: <&#224; &#156;&#172;&#247;           > E0 02 9C AC F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000019CDB87F730, 16 bytes long.
 Data: <  &#156;&#172;&#247;           > 10 04 9C AC F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000019CDB87ED80, 16 bytes long.
 Data: <p &#156;&#172;&#247;           > 70 04 9C AC F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000019CDB87EA60, 16 bytes long.
 Data: < &#192;&#154;&#172;&#247;           > 18 C0 9A AC F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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