Task 38676613

Name test_475-GPUGRID_TEST_ATM_40STEP_20261023-29-40-RND3184_0
Workunit 31618516
Created 26 Oct 2026, 11:50:07 UTC
Sent 26 Oct 2026, 11:50:15 UTC
Report deadline 31 Oct 2026, 11:50:15 UTC
Received 26 Oct 2026, 12:34:16 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 185928
Run time 21 min 42 sec
CPU time 20 min 49 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 36,775.47 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 739.98 MB
Peak swap size 12.98 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
08:13:08 (67960): wrapper (7.9.26016): starting
08:13:08 (67960): 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
08:13:09 (67960): Library/usr/bin/tar.exe exited; CPU time 0.015625
08:13:09 (67960): 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 'G:\BoincData\slots\4\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 'G:\BoincData\slots\4\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
08:33:57 (67960): C:/Windows/system32/cmd.exe exited; CPU time 1249.937500
08:33:57 (67960): called boinc_finish(0)
0 bytes in 0 Free Blocks.
176 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: 27715787 bytes.
Dumping objects ->
{3835574} normal block at 0x000001432B961250, 48 bytes long.
 Data: <PATH=G:\BoincDat> 50 41 54 48 3D 47 3A 5C 42 6F 69 6E 63 44 61 74 
{3835563} normal block at 0x000001432BB6BCE0, 32 bytes long.
 Data: <HOME=G:\BoincDat> 48 4F 4D 45 3D 47 3A 5C 42 6F 69 6E 63 44 61 74 
{3835552} normal block at 0x000001432BB6B260, 32 bytes long.
 Data: <TMP=G:\BoincData> 54 4D 50 3D 47 3A 5C 42 6F 69 6E 63 44 61 74 61 
{3835541} normal block at 0x000001432BB6B020, 32 bytes long.
 Data: <TEMP=G:\BoincDat> 54 45 4D 50 3D 47 3A 5C 42 6F 69 6E 63 44 61 74 
{3835530} normal block at 0x000001432BB6BB60, 32 bytes long.
 Data: <TMPDIR=G:\BoincD> 54 4D 50 44 49 52 3D 47 3A 5C 42 6F 69 6E 63 44 
{3835499} normal block at 0x000001432B961090, 48 bytes long.
 Data: <PATH=G:\BoincDat> 50 41 54 48 3D 47 3A 5C 42 6F 69 6E 63 44 61 74 
..\api\boinc_api.cpp(309) : {3835486} normal block at 0x0000014329D4DF50, 8 bytes long.
 Data: <  !*C   > 00 00 21 2A 43 01 00 00 
{3833957} normal block at 0x0000014329D4DFF0, 8 bytes long.
 Data: <  &#216;)C   > 20 1A D8 29 43 01 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x0000014329D51DA0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000014329D4A8F0, 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 0x0000014329D5DD90, 16 bytes long.
 Data: <&#232;&#230;&#213;)C           > E8 E6 D5 29 43 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000014329D5D340, 16 bytes long.
 Data: <&#192;&#230;&#213;)C           > C0 E6 D5 29 43 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000014329D5AA20, 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 0x0000014329D5DE80, 16 bytes long.
 Data: < &#230;&#213;)C           > 98 E6 D5 29 43 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000014329D5D2F0, 16 bytes long.
 Data: <p&#230;&#213;)C           > 70 E6 D5 29 43 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000014329D5D2A0, 16 bytes long.
 Data: <H&#230;&#213;)C           > 48 E6 D5 29 43 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000014329D5D520, 16 bytes long.
 Data: < &#230;&#213;)C           > 20 E6 D5 29 43 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000014329D598B0, 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 0x0000014329D5D8E0, 16 bytes long.
 Data: <Xp&#212;)C           > 58 70 D4 29 43 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000014329D5A5A0, 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 0x0000014329D5D9D0, 16 bytes long.
 Data: <0p&#212;)C           > 30 70 D4 29 43 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000014329D5DBB0, 16 bytes long.
 Data: < p&#212;)C           > 08 70 D4 29 43 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000014329D5D7F0, 16 bytes long.
 Data: <&#224;o&#212;)C           > E0 6F D4 29 43 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000014329D5E060, 16 bytes long.
 Data: <&#184;o&#212;)C           > B8 6F D4 29 43 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000014329D5DB60, 16 bytes long.
 Data: < o&#212;)C           > 90 6F D4 29 43 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000014329D5DD40, 16 bytes long.
 Data: <ho&#212;)C           > 68 6F D4 29 43 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000014329D5A0C0, 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 0x0000014329D5DB10, 16 bytes long.
 Data: <@o&#212;)C           > 40 6F D4 29 43 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000014329D46F40, 320 bytes long.
 Data: < &#219;&#213;)C   &#192;&#160;&#213;)C   > 10 DB D5 29 43 01 00 00 C0 A0 D5 29 43 01 00 00 
{274} normal block at 0x0000014329D5E1A0, 16 bytes long.
 Data: < &#230;&#213;)C           > 00 E6 D5 29 43 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000014329D5D4D0, 16 bytes long.
 Data: <&#216;&#229;&#213;)C           > D8 E5 D5 29 43 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000014329D5A840, 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 0x0000014329D5D250, 16 bytes long.
 Data: <&#176;&#229;&#213;)C           > B0 E5 D5 29 43 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000014329D5A780, 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 0x0000014329D5D7A0, 16 bytes long.
 Data: <&#248;&#228;&#213;)C           > F8 E4 D5 29 43 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000014329D5E010, 16 bytes long.
 Data: <&#208;&#228;&#213;)C           > D0 E4 D5 29 43 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000014329D5DC00, 16 bytes long.
 Data: <&#168;&#228;&#213;)C           > A8 E4 D5 29 43 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000014329D5DCF0, 16 bytes long.
 Data: < &#228;&#213;)C           > 80 E4 D5 29 43 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000014329D5DAC0, 16 bytes long.
 Data: <X&#228;&#213;)C           > 58 E4 D5 29 43 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000014329D5D700, 16 bytes long.
 Data: <0&#228;&#213;)C           > 30 E4 D5 29 43 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000014329D5DCA0, 16 bytes long.
 Data: <`&#151;&#213;)C           > 60 97 D5 29 43 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000014329D59760, 40 bytes long.
 Data: <&#160;&#220;&#213;)C     &#150;+C   > A0 DC D5 29 43 01 00 00 90 10 96 2B 43 01 00 00 
{260} normal block at 0x0000014329D5E150, 16 bytes long.
 Data: < &#228;&#213;)C           > 10 E4 D5 29 43 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000014329D5D480, 16 bytes long.
 Data: <&#232;&#227;&#213;)C           > E8 E3 D5 29 43 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000014329D5A9C0, 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 0x0000014329D5DF20, 16 bytes long.
 Data: <&#192;&#227;&#213;)C           > C0 E3 D5 29 43 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000014329D5E3C0, 992 bytes long.
 Data: < &#223;&#213;)C   &#192;&#169;&#213;)C   > 20 DF D5 29 43 01 00 00 C0 A9 D5 29 43 01 00 00 
{92} normal block at 0x0000014329D5A720, 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 0x0000014329D4E6D0, 16 bytes long.
 Data: <&#224;&#154;&#213;)C           > E0 9A D5 29 43 01 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x0000014329D59AE0, 40 bytes long.
 Data: <&#208;&#230;&#212;)C    &#167;&#213;)C   > D0 E6 D4 29 43 01 00 00 20 A7 D5 29 43 01 00 00 
{69} normal block at 0x0000014329D4DF00, 16 bytes long.
 Data: < &#234;~ &#246;           > 80 EA 7E 1E F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000014329D4D8C0, 16 bytes long.
 Data: <@&#233;~ &#246;           > 40 E9 7E 1E F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000014329D4D870, 16 bytes long.
 Data: <&#248;W{ &#246;           > F8 57 7B 1E F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000014329D4E400, 16 bytes long.
 Data: <&#216;W{ &#246;           > D8 57 7B 1E F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000014329D4DEB0, 16 bytes long.
 Data: <P { &#246;           > 50 04 7B 1E F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000014329D4DFA0, 16 bytes long.
 Data: <0 { &#246;           > 30 04 7B 1E F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000014329D4DE60, 16 bytes long.
 Data: <&#224; { &#246;           > E0 02 7B 1E F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000014329D4D960, 16 bytes long.
 Data: <  { &#246;           > 10 04 7B 1E F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000014329D4E630, 16 bytes long.
 Data: <p { &#246;           > 70 04 7B 1E F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000014329D4E4A0, 16 bytes long.
 Data: < &#192;y &#246;           > 18 C0 79 1E F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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