Task 38696827

Name test_512-GPUGRID_TEST_ATM_40STEP_20261023-38-40-RND7473_0
Workunit 31637443
Created 1 Nov 2026, 5:06:45 UTC
Sent 1 Nov 2026, 5:06:47 UTC
Report deadline 6 Nov 2026, 5:06:47 UTC
Received 1 Nov 2026, 5:50:31 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654704
Run time 20 min 45 sec
CPU time 19 min 2 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 29,149.23 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 740.64 MB
Peak swap size 12.95 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
01:29:53 (9340): wrapper (7.9.26016): starting
01:29:53 (9340): 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
01:29:54 (9340): Library/usr/bin/tar.exe exited; CPU time 0.000000
01:29:54 (9340): 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
01:50:06 (9340): C:/Windows/system32/cmd.exe exited; CPU time 1142.875000
01:50:06 (9340): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 bytes in 6 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: 25583205 bytes.
Dumping objects ->
{3835391} normal block at 0x000001FF0EE992E0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835380} normal block at 0x000001FF0EE99040, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835369} normal block at 0x000001FF0EE98FD0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835358} normal block at 0x000001FF0EE6B530, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835347} normal block at 0x000001FF0EE6B4C0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835316} normal block at 0x000001FF10EB66B0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
..\api\boinc_api.cpp(309) : {3835303} normal block at 0x000001FF0EE6C1B0, 8 bytes long.
 Data: <  S &#255;   > 00 00 53 0F FF 01 00 00 
{3833955} normal block at 0x000001FF0EE6BDA0, 8 bytes long.
 Data: <  &#233; &#255;   > 90 7F E9 0E FF 01 00 00 
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x000001FF0EE4AC20, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001FF0EE4B660, 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 0x000001FF0EE6B9E0, 16 bytes long.
 Data: <X&#221;&#230; &#255;           > 58 DD E6 0E FF 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001FF0EE6BB20, 16 bytes long.
 Data: <0&#221;&#230; &#255;           > 30 DD E6 0E FF 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001FF0EE72B80, 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 0x000001FF0EE6B990, 16 bytes long.
 Data: < &#221;&#230; &#255;           > 08 DD E6 0E FF 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001FF0EE6B940, 16 bytes long.
 Data: <&#224;&#220;&#230; &#255;           > E0 DC E6 0E FF 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001FF0EE6BBC0, 16 bytes long.
 Data: <&#184;&#220;&#230; &#255;           > B8 DC E6 0E FF 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001FF0EE6B8F0, 16 bytes long.
 Data: < &#220;&#230; &#255;           > 90 DC E6 0E FF 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001FF0EE6AFF0, 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 0x000001FF0EE6BA80, 16 bytes long.
 Data: <&#216;}&#229; &#255;           > D8 7D E5 0E FF 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001FF0EE52A70, 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 0x000001FF0EE6B850, 16 bytes long.
 Data: <&#176;}&#229; &#255;           > B0 7D E5 0E FF 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001FF0EE6C020, 16 bytes long.
 Data: < }&#229; &#255;           > 88 7D E5 0E FF 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001FF0EE6C480, 16 bytes long.
 Data: <`}&#229; &#255;           > 60 7D E5 0E FF 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001FF0EE6B800, 16 bytes long.
 Data: <8}&#229; &#255;           > 38 7D E5 0E FF 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001FF0EE6C2F0, 16 bytes long.
 Data: < }&#229; &#255;           > 10 7D E5 0E FF 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001FF0EE6C390, 16 bytes long.
 Data: <&#232;|&#229; &#255;           > E8 7C E5 0E FF 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001FF0EE52AD0, 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 0x000001FF0EE6B8A0, 16 bytes long.
 Data: <&#192;|&#229; &#255;           > C0 7C E5 0E FF 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001FF0EE57CC0, 320 bytes long.
 Data: <&#160;&#184;&#230; &#255;   &#208;*&#229; &#255;   > A0 B8 E6 0E FF 01 00 00 D0 2A E5 0E FF 01 00 00 
{273} normal block at 0x000001FF0EE6C610, 16 bytes long.
 Data: <p&#220;&#230; &#255;           > 70 DC E6 0E FF 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001FF0EE6C160, 16 bytes long.
 Data: <H&#220;&#230; &#255;           > 48 DC E6 0E FF 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001FF0EE52950, 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 0x000001FF0EE6C660, 16 bytes long.
 Data: < &#220;&#230; &#255;           > 20 DC E6 0E FF 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001FF0EE52E90, 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 0x000001FF0EE6C5C0, 16 bytes long.
 Data: <h&#219;&#230; &#255;           > 68 DB E6 0E FF 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001FF0EE6C570, 16 bytes long.
 Data: <@&#219;&#230; &#255;           > 40 DB E6 0E FF 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001FF0EE6C520, 16 bytes long.
 Data: < &#219;&#230; &#255;           > 18 DB E6 0E FF 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001FF0EE6C0C0, 16 bytes long.
 Data: <&#240;&#218;&#230; &#255;           > F0 DA E6 0E FF 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001FF0EE6C340, 16 bytes long.
 Data: <&#200;&#218;&#230; &#255;           > C8 DA E6 0E FF 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001FF0EE6C6B0, 16 bytes long.
 Data: <&#160;&#218;&#230; &#255;           > A0 DA E6 0E FF 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001FF0EE6C4D0, 16 bytes long.
 Data: <p&#179;&#230; &#255;           > 70 B3 E6 0E FF 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001FF0EE6B370, 40 bytes long.
 Data: <&#208;&#196;&#230; &#255;   &#176;f&#235; &#255;   > D0 C4 E6 0E FF 01 00 00 B0 66 EB 10 FF 01 00 00 
{259} normal block at 0x000001FF0EE6C3E0, 16 bytes long.
 Data: < &#218;&#230; &#255;           > 80 DA E6 0E FF 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001FF0EE6BFD0, 16 bytes long.
 Data: <X&#218;&#230; &#255;           > 58 DA E6 0E FF 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001FF0EE52DD0, 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 0x000001FF0EE6C200, 16 bytes long.
 Data: <0&#218;&#230; &#255;           > 30 DA E6 0E FF 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000001FF0EE6DA30, 992 bytes long.
 Data: < &#194;&#230; &#255;   &#208;-&#229; &#255;   > 00 C2 E6 0E FF 01 00 00 D0 2D E5 0E FF 01 00 00 
{91} normal block at 0x000001FF0EE52830, 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 0x000001FF0EE6C110, 16 bytes long.
 Data: < &#179;&#230; &#255;           > 00 B3 E6 0E FF 01 00 00 00 00 00 00 00 00 00 00 
{89} normal block at 0x000001FF0EE6B300, 40 bytes long.
 Data: < &#193;&#230; &#255;   0(&#229; &#255;   > 10 C1 E6 0E FF 01 00 00 30 28 E5 0E FF 01 00 00 
{68} normal block at 0x000001FF0EE6EBE0, 16 bytes long.
 Data: < &#234;&#130;&#159;&#246;           > 80 EA 82 9F F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001FF0EE6EB90, 16 bytes long.
 Data: <@&#233;&#130;&#159;&#246;           > 40 E9 82 9F F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001FF0EE6EB40, 16 bytes long.
 Data: <&#248;W &#159;&#246;           > F8 57 7F 9F F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001FF0EE6E000, 16 bytes long.
 Data: <&#216;W &#159;&#246;           > D8 57 7F 9F F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001FF0EE6EC80, 16 bytes long.
 Data: <P  &#159;&#246;           > 50 04 7F 9F F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001FF0EE6EAA0, 16 bytes long.
 Data: <0  &#159;&#246;           > 30 04 7F 9F F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001FF0EE6EA00, 16 bytes long.
 Data: <&#224;  &#159;&#246;           > E0 02 7F 9F F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001FF0EE6EE10, 16 bytes long.
 Data: <   &#159;&#246;           > 10 04 7F 9F F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001FF0EE6E960, 16 bytes long.
 Data: <p  &#159;&#246;           > 70 04 7F 9F F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001FF0EE6EDC0, 16 bytes long.
 Data: < &#192;}&#159;&#246;           > 18 C0 7D 9F F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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