Task 38677863

Name test_224-GPUGRID_TEST_ATM_40STEP_20261023-25-40-RND8802_0
Workunit 31619717
Created 26 Oct 2026, 15:38:46 UTC
Sent 26 Oct 2026, 15:38:51 UTC
Report deadline 31 Oct 2026, 15:38:51 UTC
Received 26 Oct 2026, 16:01:35 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 629717
Run time 22 min 9 sec
CPU time 18 min 48 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 28,388.91 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 759.50 MB
Peak swap size 13.05 GB
Peak disk usage 3.11 GB

Stderr output

<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
10:40:08 (60644): wrapper (7.9.26016): starting
10:40:08 (60644): 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
10:40:09 (60644): Library/usr/bin/tar.exe exited; CPU time 0.015625
10:40:09 (60644): 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\32\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\32\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
11:01:10 (60644): C:/Windows/system32/cmd.exe exited; CPU time 1128.000000
11:01:10 (60644): 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: 36727651 bytes.
Dumping objects ->
{3835311} normal block at 0x0000020CBBDFB5B0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835300} normal block at 0x0000020CBBDFAC80, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835289} normal block at 0x0000020CBBDFB310, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835278} normal block at 0x0000020CBBDFB3F0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835267} normal block at 0x0000020CBBDFB850, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835236} normal block at 0x0000020CBDB7DBD0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835225} normal block at 0x0000020CBDBDE840, 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) : {3835222} normal block at 0x0000020CBBDCF210, 8 bytes long.
 Data: <  &#218;&#187;    > 00 00 DA BB 0C 02 00 00 
{3834575} normal block at 0x0000020CBDBDEDC0, 102 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 0x0000020CBBDCE630, 8 bytes long.
 Data: <&#176;H&#194;&#189;    > B0 48 C2 BD 0C 02 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x0000020CBBDC64D0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000020CBBDC77E0, 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 0x0000020CBBDD6590, 16 bytes long.
 Data: <hX&#221;&#187;            > 68 58 DD BB 0C 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000020CBBDD5BE0, 16 bytes long.
 Data: <@X&#221;&#187;            > 40 58 DD BB 0C 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000020CBBDD0B40, 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 0x0000020CBBDD6770, 16 bytes long.
 Data: < X&#221;&#187;            > 18 58 DD BB 0C 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000020CBBDD6400, 16 bytes long.
 Data: <&#240;W&#221;&#187;            > F0 57 DD BB 0C 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000020CBBDD6040, 16 bytes long.
 Data: <&#200;W&#221;&#187;            > C8 57 DD BB 0C 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000020CBBDD6860, 16 bytes long.
 Data: <&#160;W&#221;&#187;            > A0 57 DD BB 0C 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000020CBBDD3C50, 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 0x0000020CBBDD5B90, 16 bytes long.
 Data: < &#163;&#220;&#187;            > 98 A3 DC BB 0C 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000020CBBDD04E0, 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 0x0000020CBBDD6360, 16 bytes long.
 Data: <p&#163;&#220;&#187;            > 70 A3 DC BB 0C 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000020CBBDD5B40, 16 bytes long.
 Data: <H&#163;&#220;&#187;            > 48 A3 DC BB 0C 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000020CBBDD5E60, 16 bytes long.
 Data: < &#163;&#220;&#187;            > 20 A3 DC BB 0C 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000020CBBDD5AA0, 16 bytes long.
 Data: <&#248;&#162;&#220;&#187;            > F8 A2 DC BB 0C 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000020CBBDD5A50, 16 bytes long.
 Data: <&#208;&#162;&#220;&#187;            > D0 A2 DC BB 0C 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000020CBBDD5AF0, 16 bytes long.
 Data: <&#168;&#162;&#220;&#187;            > A8 A2 DC BB 0C 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000020CBBDD0480, 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 0x0000020CBBDD6270, 16 bytes long.
 Data: < &#162;&#220;&#187;            > 80 A2 DC BB 0C 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000020CBBDCA280, 320 bytes long.
 Data: <pb&#221;&#187;      &#221;&#187;    > 70 62 DD BB 0C 02 00 00 80 04 DD BB 0C 02 00 00 
{276} normal block at 0x0000020CBBDD5FA0, 16 bytes long.
 Data: < W&#221;&#187;            > 80 57 DD BB 0C 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000020CBBDD63B0, 16 bytes long.
 Data: <XW&#221;&#187;            > 58 57 DD BB 0C 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000020CBBDD0AE0, 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 0x0000020CBBDD5A00, 16 bytes long.
 Data: <0W&#221;&#187;            > 30 57 DD BB 0C 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000020CBBDD0180, 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 0x0000020CBBDD5C80, 16 bytes long.
 Data: <xV&#221;&#187;            > 78 56 DD BB 0C 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000020CBBDD6130, 16 bytes long.
 Data: <PV&#221;&#187;            > 50 56 DD BB 0C 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000020CBBDD6720, 16 bytes long.
 Data: <(V&#221;&#187;            > 28 56 DD BB 0C 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000020CBBDD66D0, 16 bytes long.
 Data: < V&#221;&#187;            > 00 56 DD BB 0C 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000020CBBDD6680, 16 bytes long.
 Data: <&#216;U&#221;&#187;            > D8 55 DD BB 0C 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000020CBBDCE950, 16 bytes long.
 Data: <&#176;U&#221;&#187;            > B0 55 DD BB 0C 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000020CBBDCE900, 16 bytes long.
 Data: <@@&#221;&#187;            > 40 40 DD BB 0C 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000020CBBDD4040, 40 bytes long.
 Data: < &#233;&#220;&#187;    &#208;&#219;&#183;&#189;    > 00 E9 DC BB 0C 02 00 00 D0 DB B7 BD 0C 02 00 00 
{262} normal block at 0x0000020CBBDCF350, 16 bytes long.
 Data: < U&#221;&#187;            > 90 55 DD BB 0C 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000020CBBDCF2B0, 16 bytes long.
 Data: <hU&#221;&#187;            > 68 55 DD BB 0C 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000020CBBDD00C0, 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 0x0000020CBBDCEC70, 16 bytes long.
 Data: <@U&#221;&#187;            > 40 55 DD BB 0C 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000020CBBDD5540, 992 bytes long.
 Data: <p&#236;&#220;&#187;    &#192; &#221;&#187;    > 70 EC DC BB 0C 02 00 00 C0 00 DD BB 0C 02 00 00 
{94} normal block at 0x0000020CBBDD03C0, 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 0x0000020CBBDCEC20, 16 bytes long.
 Data: <@9&#221;&#187;            > 40 39 DD BB 0C 02 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x0000020CBBDD3940, 40 bytes long.
 Data: < &#236;&#220;&#187;    &#192; &#221;&#187;    > 20 EC DC BB 0C 02 00 00 C0 03 DD BB 0C 02 00 00 
{71} normal block at 0x0000020CBBDCF1C0, 16 bytes long.
 Data: < &#234; ;&#247;           > 80 EA 99 3B F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000020CBBDCE7C0, 16 bytes long.
 Data: <@&#233; ;&#247;           > 40 E9 99 3B F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000020CBBDCF300, 16 bytes long.
 Data: <&#248;W&#150;;&#247;           > F8 57 96 3B F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000020CBBDCE8B0, 16 bytes long.
 Data: <&#216;W&#150;;&#247;           > D8 57 96 3B F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000020CBBDCE540, 16 bytes long.
 Data: <P &#150;;&#247;           > 50 04 96 3B F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000020CBBDCE9A0, 16 bytes long.
 Data: <0 &#150;;&#247;           > 30 04 96 3B F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000020CBBDCE720, 16 bytes long.
 Data: <&#224; &#150;;&#247;           > E0 02 96 3B F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000020CBBDCF170, 16 bytes long.
 Data: <  &#150;;&#247;           > 10 04 96 3B F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000020CBBDCE5E0, 16 bytes long.
 Data: <p &#150;;&#247;           > 70 04 96 3B F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000020CBBDCF260, 16 bytes long.
 Data: < &#192;&#148;;&#247;           > 18 C0 94 3B F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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