Task 38652790

Name test_208-GPUGRID_TEST_ATM_40STEP_20261023-3-40-RND1599_1
Workunit 31596751
Created 24 Oct 2026, 4:31:46 UTC
Sent 24 Oct 2026, 5:28:34 UTC
Report deadline 29 Oct 2026, 5:28:34 UTC
Received 24 Oct 2026, 7:53:12 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 653145
Run time 33 min 13 sec
CPU time 32 min 26 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 10,909.22 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 729.58 MB
Peak swap size 6.86 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
10:20:14 (20204): wrapper (7.9.26016): starting
10:20:14 (20204): 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
10:20:15 (20204): Library/usr/bin/tar.exe exited; CPU time 0.000000
10:20:15 (20204): 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
10:52:50 (20204): C:/Windows/system32/cmd.exe exited; CPU time 1946.546875
10:52:50 (20204): called boinc_finish(0)
0 bytes in 0 Free Blocks.
496 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: 26012593 bytes.
Dumping objects ->
{3835549} normal block at 0x000001B60922DBE0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835538} normal block at 0x000001B607605920, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835527} normal block at 0x000001B607605530, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835516} normal block at 0x000001B6076053E0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835505} normal block at 0x000001B607605370, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835474} normal block at 0x000001B609278330, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835463} normal block at 0x000001B60762FC30, 120 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) : {3835460} normal block at 0x000001B6075FEE60, 8 bytes long.
 Data: <  &#166; &#182;   > 00 00 A6 07 B6 01 00 00 
{3834688} normal block at 0x000001B6076303B0, 120 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833957} normal block at 0x000001B6075FEE10, 8 bytes long.
 Data: <&#176;I-	&#182;   > B0 49 2D 09 B6 01 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x000001B607601290, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001B6075F6560, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{294} normal block at 0x000001B607606540, 16 bytes long.
 Data: < q` &#182;           > 98 71 60 07 B6 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001B607606AE0, 16 bytes long.
 Data: <pq` &#182;           > 70 71 60 07 B6 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001B6076003C0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{291} normal block at 0x000001B607606090, 16 bytes long.
 Data: <Hq` &#182;           > 48 71 60 07 B6 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001B6076065E0, 16 bytes long.
 Data: < q` &#182;           > 20 71 60 07 B6 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001B607606040, 16 bytes long.
 Data: <&#248;p` &#182;           > F8 70 60 07 B6 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001B607606810, 16 bytes long.
 Data: <&#208;p` &#182;           > D0 70 60 07 B6 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001B607605450, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{286} normal block at 0x000001B607605FF0, 16 bytes long.
 Data: <&#184;P` &#182;           > B8 50 60 07 B6 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001B607600720, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{284} normal block at 0x000001B607606DB0, 16 bytes long.
 Data: <&#144;P` &#182;           > 90 50 60 07 B6 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001B607606A40, 16 bytes long.
 Data: <hP` &#182;           > 68 50 60 07 B6 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001B6076061D0, 16 bytes long.
 Data: <@P` &#182;           > 40 50 60 07 B6 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001B607606E00, 16 bytes long.
 Data: < P` &#182;           > 18 50 60 07 B6 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001B607606590, 16 bytes long.
 Data: <&#240;O` &#182;           > F0 4F 60 07 B6 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001B607606680, 16 bytes long.
 Data: <&#200;O` &#182;           > C8 4F 60 07 B6 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001B607600240, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{276} normal block at 0x000001B607606D60, 16 bytes long.
 Data: <&#160;O` &#182;           > A0 4F 60 07 B6 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001B607604FA0, 320 bytes long.
 Data: <`m` &#182;   @ ` &#182;   > 60 6D 60 07 B6 01 00 00 40 02 60 07 B6 01 00 00 
{274} normal block at 0x000001B6076062C0, 16 bytes long.
 Data: <&#176;p` &#182;           > B0 70 60 07 B6 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001B607606450, 16 bytes long.
 Data: < p` &#182;           > 88 70 60 07 B6 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001B6075FFCA0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{271} normal block at 0x000001B607605FA0, 16 bytes long.
 Data: <`p` &#182;           > 60 70 60 07 B6 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001B607600960, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{269} normal block at 0x000001B607606C20, 16 bytes long.
 Data: <&#168;o` &#182;           > A8 6F 60 07 B6 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001B6076064F0, 16 bytes long.
 Data: <&#128;o` &#182;           > 80 6F 60 07 B6 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001B607606270, 16 bytes long.
 Data: <Xo` &#182;           > 58 6F 60 07 B6 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001B607605F00, 16 bytes long.
 Data: <0o` &#182;           > 30 6F 60 07 B6 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001B607606770, 16 bytes long.
 Data: < o` &#182;           > 08 6F 60 07 B6 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001B607606310, 16 bytes long.
 Data: <&#224;n` &#182;           > E0 6E 60 07 B6 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001B6076069F0, 16 bytes long.
 Data: <&#192;T` &#182;           > C0 54 60 07 B6 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001B6076054C0, 40 bytes long.
 Data: <&#240;i` &#182;   0&#131;'	&#182;   > F0 69 60 07 B6 01 00 00 30 83 27 09 B6 01 00 00 
{260} normal block at 0x000001B607606220, 16 bytes long.
 Data: <&#192;n` &#182;           > C0 6E 60 07 B6 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001B607606BD0, 16 bytes long.
 Data: < n` &#182;           > 98 6E 60 07 B6 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001B607600600, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{257} normal block at 0x000001B607606A90, 16 bytes long.
 Data: <pn` &#182;           > 70 6E 60 07 B6 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001B607606E70, 992 bytes long.
 Data: <&#144;j` &#182;     ` &#182;   > 90 6A 60 07 B6 01 00 00 00 06 60 07 B6 01 00 00 
{92} normal block at 0x000001B607600120, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{91} normal block at 0x000001B6075FEC80, 16 bytes long.
 Data: <&#144;&#191;^ &#182;           > 90 BF 5E 07 B6 01 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x000001B6075EBF90, 40 bytes long.
 Data: <&#128;&#236;_ &#182;     ` &#182;   > 80 EC 5F 07 B6 01 00 00 20 01 60 07 B6 01 00 00 
{69} normal block at 0x000001B6075FF270, 16 bytes long.
 Data: <&#128;&#234;= &#247;           > 80 EA 3D 05 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001B6075FF090, 16 bytes long.
 Data: <@&#233;= &#247;           > 40 E9 3D 05 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001B6075FEFF0, 16 bytes long.
 Data: <&#248;W: &#247;           > F8 57 3A 05 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001B6075FF6D0, 16 bytes long.
 Data: <&#216;W: &#247;           > D8 57 3A 05 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001B6075FEDC0, 16 bytes long.
 Data: <P : &#247;           > 50 04 3A 05 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001B6075FF130, 16 bytes long.
 Data: <0 : &#247;           > 30 04 3A 05 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001B6075FF5E0, 16 bytes long.
 Data: <&#224; : &#247;           > E0 02 3A 05 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001B6075FFB30, 16 bytes long.
 Data: <  : &#247;           > 10 04 3A 05 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001B6075FED70, 16 bytes long.
 Data: <p : &#247;           > 70 04 3A 05 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001B6075FF590, 16 bytes long.
 Data: < &#192;8 &#247;           > 18 C0 38 05 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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