Task 38678485

Name test_810-GPUGRID_TEST_ATM_4STEP_20261023-2-4-RND1869_0
Workunit 31620303
Created 26 Oct 2026, 17:33:47 UTC
Sent 26 Oct 2026, 17:33:53 UTC
Report deadline 31 Oct 2026, 17:33:53 UTC
Received 26 Oct 2026, 19:39:15 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 140554
Run time 29 min 51 sec
CPU time 29 min 51 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 728.16 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>
12:11:32 (39656): wrapper (7.9.26016): starting
12:11:32 (39656): 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
12:11:33 (39656): Library/usr/bin/tar.exe exited; CPU time 0.000000
12:11:33 (39656): 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
12:38:19 (39656): C:/Windows/system32/cmd.exe exited; CPU time 1791.046875
12:38:19 (39656): 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: 27445407 bytes.
Dumping objects ->
{3835233} normal block at 0x000001B207E20C30, 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 0x000001B207E212C0, 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 0x000001B207E21640, 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 0x000001B207E20840, 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 0x000001B207E216B0, 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 0x000001B207F146A0, 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 0x000001B207F2D2E0, 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 0x000001B2063A79E0, 8 bytes long.
 Data: <  &#208; &#178;   > 00 00 D0 07 B2 01 00 00 
{3834540} normal block at 0x000001B207F2CAA0, 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 0x000001B2063A8430, 8 bytes long.
 Data: < &#234;&#226; &#178;   > 00 EA E2 07 B2 01 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x000001B206395F80, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001B20639B7B0, 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 0x000001B2063B3500, 16 bytes long.
 Data: < M; &#178;           > 98 4D 3B 06 B2 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001B2063B2FB0, 16 bytes long.
 Data: <pM; &#178;           > 70 4D 3B 06 B2 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001B2063AD0E0, 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 0x000001B2063B30A0, 16 bytes long.
 Data: <HM; &#178;           > 48 4D 3B 06 B2 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001B2063B3410, 16 bytes long.
 Data: < M; &#178;           > 20 4D 3B 06 B2 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001B2063B2EC0, 16 bytes long.
 Data: <&#248;L; &#178;           > F8 4C 3B 06 B2 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001B2063B3230, 16 bytes long.
 Data: <&#208;L; &#178;           > D0 4C 3B 06 B2 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001B2063AE730, 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 0x000001B2063B2B00, 16 bytes long.
 Data: <X&#207;9 &#178;           > 58 CF 39 06 B2 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001B2063AC720, 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 0x000001B2063B3050, 16 bytes long.
 Data: <0&#207;9 &#178;           > 30 CF 39 06 B2 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001B2063B2AB0, 16 bytes long.
 Data: < &#207;9 &#178;           > 08 CF 39 06 B2 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001B2063B2A60, 16 bytes long.
 Data: <&#224;&#206;9 &#178;           > E0 CE 39 06 B2 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001B2063B2E70, 16 bytes long.
 Data: <&#184;&#206;9 &#178;           > B8 CE 39 06 B2 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001B2063B27E0, 16 bytes long.
 Data: < &#206;9 &#178;           > 90 CE 39 06 B2 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001B2063B3140, 16 bytes long.
 Data: <h&#206;9 &#178;           > 68 CE 39 06 B2 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001B2063ACD80, 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 0x000001B2063B32D0, 16 bytes long.
 Data: <@&#206;9 &#178;           > 40 CE 39 06 B2 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001B20639CE40, 320 bytes long.
 Data: <&#208;2; &#178;    &#205;: &#178;   > D0 32 3B 06 B2 01 00 00 80 CD 3A 06 B2 01 00 00 
{275} normal block at 0x000001B2063B26A0, 16 bytes long.
 Data: <&#176;L; &#178;           > B0 4C 3B 06 B2 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001B2063B2F60, 16 bytes long.
 Data: < L; &#178;           > 88 4C 3B 06 B2 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001B2063ACD20, 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 0x000001B2063B2D80, 16 bytes long.
 Data: <`L; &#178;           > 60 4C 3B 06 B2 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001B2063ACEA0, 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 0x000001B2063B2740, 16 bytes long.
 Data: <&#168;K; &#178;           > A8 4B 3B 06 B2 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001B2063B35F0, 16 bytes long.
 Data: < K; &#178;           > 80 4B 3B 06 B2 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001B2063B2A10, 16 bytes long.
 Data: <XK; &#178;           > 58 4B 3B 06 B2 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001B2063B3000, 16 bytes long.
 Data: <0K; &#178;           > 30 4B 3B 06 B2 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001B2063B29C0, 16 bytes long.
 Data: < K; &#178;           > 08 4B 3B 06 B2 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001B2063B2C40, 16 bytes long.
 Data: <&#224;J; &#178;           > E0 4A 3B 06 B2 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001B2063B2970, 16 bytes long.
 Data: <@&#227;: &#178;           > 40 E3 3A 06 B2 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001B2063AE340, 40 bytes long.
 Data: <p); &#178;   &#160;F&#241; &#178;   > 70 29 3B 06 B2 01 00 00 A0 46 F1 07 B2 01 00 00 
{261} normal block at 0x000001B2063B3370, 16 bytes long.
 Data: <&#192;J; &#178;           > C0 4A 3B 06 B2 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001B2063B26F0, 16 bytes long.
 Data: < J; &#178;           > 98 4A 3B 06 B2 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001B2063ACCC0, 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 0x000001B2063B30F0, 16 bytes long.
 Data: <pJ; &#178;           > 70 4A 3B 06 B2 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001B2063B4A70, 992 bytes long.
 Data: <&#240;0; &#178;   &#192;&#204;: &#178;   > F0 30 3B 06 B2 01 00 00 C0 CC 3A 06 B2 01 00 00 
{93} normal block at 0x000001B2063ACB40, 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 0x000001B2063A7F30, 16 bytes long.
 Data: <`&#226;: &#178;           > 60 E2 3A 06 B2 01 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x000001B2063AE260, 40 bytes long.
 Data: <0 : &#178;   @&#203;: &#178;   > 30 7F 3A 06 B2 01 00 00 40 CB 3A 06 B2 01 00 00 
{70} normal block at 0x000001B2063A7940, 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 0x000001B2063A7A30, 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 0x000001B2063A8660, 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 0x000001B2063A7EE0, 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 0x000001B2063A8610, 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 0x000001B2063A81B0, 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 0x000001B2063A86B0, 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 0x000001B2063A7F80, 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 0x000001B2063A83E0, 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 0x000001B2063A78F0, 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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