Task 38682444

Name test_73-GPUGRID_TEST_ATM_40STEP_20261023-33-40-RND1893_0
Workunit 31624058
Created 27 Oct 2026, 7:48:57 UTC
Sent 27 Oct 2026, 7:49:00 UTC
Report deadline 1 Nov 2026, 7:49:00 UTC
Received 27 Oct 2026, 8:48:58 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 648521
Run time 28 min 21 sec
CPU time 26 min 18 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 10,690.34 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 713.22 MB
Peak swap size 9.78 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
04:19:05 (1516): wrapper (7.9.26016): starting
04:19:05 (1516): 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
04:19:07 (1516): Library/usr/bin/tar.exe exited; CPU time 0.000000
04:19:07 (1516): 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\1\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\1\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
04:46:26 (1516): C:/Windows/system32/cmd.exe exited; CPU time 1578.828125
04:46:26 (1516): 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: 25042505 bytes.
Dumping objects ->
{3835280} normal block at 0x00000198C2CC5700, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835269} normal block at 0x00000198C2CC5AF0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835258} normal block at 0x00000198C2CC59A0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835247} normal block at 0x00000198C2CC5620, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835236} normal block at 0x00000198C2CC58C0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835205} normal block at 0x00000198C4C39330, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835194} normal block at 0x00000198C2D1DDE0, 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) : {3835191} normal block at 0x00000198C2CBFBB0, 8 bytes long.
 Data: <  !&#195;    > 00 00 21 C3 98 01 00 00 
{3834567} normal block at 0x00000198C2D1DF80, 140 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833955} normal block at 0x00000198C2CBF570, 8 bytes long.
 Data: <&#192;&#223;&#180;&#196;    > C0 DF B4 C4 98 01 00 00 
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x00000198C2CC1050, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000198C2CAFA00, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{293} normal block at 0x00000198C2CC68E0, 16 bytes long.
 Data: <&#216;^&#204;&#194;            > D8 5E CC C2 98 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000198C2CC6840, 16 bytes long.
 Data: <&#176;^&#204;&#194;            > B0 5E CC C2 98 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000198C2CC0E10, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{290} normal block at 0x00000198C2CC6DE0, 16 bytes long.
 Data: < ^&#204;&#194;            > 88 5E CC C2 98 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000198C2CC6250, 16 bytes long.
 Data: <`^&#204;&#194;            > 60 5E CC C2 98 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000198C2CC6070, 16 bytes long.
 Data: <8^&#204;&#194;            > 38 5E CC C2 98 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000198C2CC6CF0, 16 bytes long.
 Data: < ^&#204;&#194;            > 10 5E CC C2 98 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000198C2CC53F0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{285} normal block at 0x00000198C2CC6BB0, 16 bytes long.
 Data: < &#233;&#202;&#194;            > 98 E9 CA C2 98 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000198C2CC03F0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{283} normal block at 0x00000198C2CC67A0, 16 bytes long.
 Data: <p&#233;&#202;&#194;            > 70 E9 CA C2 98 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000198C2CC6890, 16 bytes long.
 Data: <H&#233;&#202;&#194;            > 48 E9 CA C2 98 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000198C2CC66B0, 16 bytes long.
 Data: < &#233;&#202;&#194;            > 20 E9 CA C2 98 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000198C2CC67F0, 16 bytes long.
 Data: <&#248;&#232;&#202;&#194;            > F8 E8 CA C2 98 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000198C2CC6D40, 16 bytes long.
 Data: <&#208;&#232;&#202;&#194;            > D0 E8 CA C2 98 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000198C2CC6020, 16 bytes long.
 Data: <&#168;&#232;&#202;&#194;            > A8 E8 CA C2 98 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000198C2CC0D50, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{275} normal block at 0x00000198C2CC6930, 16 bytes long.
 Data: < &#232;&#202;&#194;            > 80 E8 CA C2 98 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000198C2CAE880, 320 bytes long.
 Data: <0i&#204;&#194;    P &#204;&#194;    > 30 69 CC C2 98 01 00 00 50 0D CC C2 98 01 00 00 
{273} normal block at 0x00000198C2CC6980, 16 bytes long.
 Data: <&#240;]&#204;&#194;            > F0 5D CC C2 98 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000198C2CC6F70, 16 bytes long.
 Data: <&#200;]&#204;&#194;            > C8 5D CC C2 98 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000198C2CC0C90, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{270} normal block at 0x00000198C2CC6750, 16 bytes long.
 Data: <&#160;]&#204;&#194;            > A0 5D CC C2 98 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000198C2CC08D0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{268} normal block at 0x00000198C2CC6430, 16 bytes long.
 Data: <&#232;\&#204;&#194;            > E8 5C CC C2 98 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000198C2CC63E0, 16 bytes long.
 Data: <&#192;\&#204;&#194;            > C0 5C CC C2 98 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000198C2CC6390, 16 bytes long.
 Data: < \&#204;&#194;            > 98 5C CC C2 98 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000198C2CC6340, 16 bytes long.
 Data: <p\&#204;&#194;            > 70 5C CC C2 98 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000198C2CC6ED0, 16 bytes long.
 Data: <H\&#204;&#194;            > 48 5C CC C2 98 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000198C2CBF5C0, 16 bytes long.
 Data: < \&#204;&#194;            > 20 5C CC C2 98 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000198C2CBF4D0, 16 bytes long.
 Data: < Z&#204;&#194;            > 10 5A CC C2 98 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000198C2CC5A10, 40 bytes long.
 Data: <&#208;&#244;&#203;&#194;    0&#147;&#195;&#196;    > D0 F4 CB C2 98 01 00 00 30 93 C3 C4 98 01 00 00 
{259} normal block at 0x00000198C2CBF480, 16 bytes long.
 Data: < \&#204;&#194;            > 00 5C CC C2 98 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000198C2CBF340, 16 bytes long.
 Data: <&#216;[&#204;&#194;            > D8 5B CC C2 98 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x00000198C2CC0510, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{256} normal block at 0x00000198C2CBF2F0, 16 bytes long.
 Data: <&#176;[&#204;&#194;            > B0 5B CC C2 98 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x00000198C2CC5BB0, 992 bytes long.
 Data: <&#240;&#242;&#203;&#194;      &#204;&#194;    > F0 F2 CB C2 98 01 00 00 10 05 CC C2 98 01 00 00 
{91} normal block at 0x00000198C2CC0C30, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{90} normal block at 0x00000198C2CBF6B0, 16 bytes long.
 Data: <&#192;&#192;&#202;&#194;            > C0 C0 CA C2 98 01 00 00 00 00 00 00 00 00 00 00 
{89} normal block at 0x00000198C2CAC0C0, 40 bytes long.
 Data: <&#176;&#246;&#203;&#194;    0 &#204;&#194;    > B0 F6 CB C2 98 01 00 00 30 0C CC C2 98 01 00 00 
{68} normal block at 0x00000198C2CBF980, 16 bytes long.
 Data: < &#234;H{&#247;           > 80 EA 48 7B F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000198C2CBF930, 16 bytes long.
 Data: <@&#233;H{&#247;           > 40 E9 48 7B F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000198C2CBF020, 16 bytes long.
 Data: <&#248;WE{&#247;           > F8 57 45 7B F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000198C2CBF660, 16 bytes long.
 Data: <&#216;WE{&#247;           > D8 57 45 7B F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000198C2CBFC50, 16 bytes long.
 Data: <P E{&#247;           > 50 04 45 7B F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000198C2CBF160, 16 bytes long.
 Data: <0 E{&#247;           > 30 04 45 7B F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000198C2CBFB60, 16 bytes long.
 Data: <&#224; E{&#247;           > E0 02 45 7B F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000198C2CBF750, 16 bytes long.
 Data: <  E{&#247;           > 10 04 45 7B F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000198C2CBF3E0, 16 bytes long.
 Data: <p E{&#247;           > 70 04 45 7B F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x00000198C2CBF8E0, 16 bytes long.
 Data: < &#192;C{&#247;           > 18 C0 43 7B F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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