Task 38652337

Name test_174-GPUGRID_TEST_ATM_40STEP_20261023-2-40-RND7413_0
Workunit 31596531
Created 24 Oct 2026, 3:41:49 UTC
Sent 24 Oct 2026, 3:45:58 UTC
Report deadline 29 Oct 2026, 3:45:58 UTC
Received 24 Oct 2026, 4:22:20 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 616957
Run time 26 min 46 sec
CPU time 25 min 3 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 19,295.78 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 735.41 MB
Peak swap size 8.40 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
05:55:48 (34380): wrapper (7.9.26016): starting
05:55:48 (34380): 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
05:55:49 (34380): Library/usr/bin/tar.exe exited; CPU time 0.015625
05:55:49 (34380): 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
06:21:45 (34380): C:/Windows/system32/cmd.exe exited; CPU time 1503.437500
06:21:45 (34380): 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: 27855241 bytes.
Dumping objects ->
{3835266} normal block at 0x000001BF6AC285C0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835255} normal block at 0x000001BF6AC28080, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835244} normal block at 0x000001BF6AC28470, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835233} normal block at 0x000001BF6AC28400, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835222} normal block at 0x000001BF6AC28390, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835191} normal block at 0x000001BF6CABF190, 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) : {3835178} normal block at 0x000001BF6AC216D0, 8 bytes long.
 Data: <   k&#191;   > 00 00 0E 6B BF 01 00 00 
{3833963} normal block at 0x000001BF6AC21680, 8 bytes long.
 Data: < &#250;&#196;j&#191;   > 00 FA C4 6A BF 01 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x000001BF6AC15C40, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000001BF6AC16BB0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{297} normal block at 0x000001BF6AC28E50, 16 bytes long.
 Data: < &#159;&#194;j&#191;           > 08 9F C2 6A BF 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001BF6AC296C0, 16 bytes long.
 Data: <&#224;&#158;&#194;j&#191;           > E0 9E C2 6A BF 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001BF6AC24450, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{294} normal block at 0x000001BF6AC28D60, 16 bytes long.
 Data: <&#184;&#158;&#194;j&#191;           > B8 9E C2 6A BF 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001BF6AC29850, 16 bytes long.
 Data: < &#158;&#194;j&#191;           > 90 9E C2 6A BF 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001BF6AC29670, 16 bytes long.
 Data: <h&#158;&#194;j&#191;           > 68 9E C2 6A BF 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001BF6AC29490, 16 bytes long.
 Data: <@&#158;&#194;j&#191;           > 40 9E C2 6A BF 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001BF6AC28240, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{289} normal block at 0x000001BF6AC29620, 16 bytes long.
 Data: < I&#193;j&#191;           > 98 49 C1 6A BF 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001BF6AC24ED0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{287} normal block at 0x000001BF6AC290D0, 16 bytes long.
 Data: <pI&#193;j&#191;           > 70 49 C1 6A BF 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001BF6AC29440, 16 bytes long.
 Data: <HI&#193;j&#191;           > 48 49 C1 6A BF 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001BF6AC28CC0, 16 bytes long.
 Data: < I&#193;j&#191;           > 20 49 C1 6A BF 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001BF6AC29080, 16 bytes long.
 Data: <&#248;H&#193;j&#191;           > F8 48 C1 6A BF 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001BF6AC28F40, 16 bytes long.
 Data: <&#208;H&#193;j&#191;           > D0 48 C1 6A BF 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001BF6AC29210, 16 bytes long.
 Data: <&#168;H&#193;j&#191;           > A8 48 C1 6A BF 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001BF6AC242D0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{279} normal block at 0x000001BF6AC298A0, 16 bytes long.
 Data: < H&#193;j&#191;           > 80 48 C1 6A BF 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001BF6AC14880, 320 bytes long.
 Data: <&#160; &#194;j&#191;   &#208;B&#194;j&#191;   > A0 98 C2 6A BF 01 00 00 D0 42 C2 6A BF 01 00 00 
{277} normal block at 0x000001BF6AC291C0, 16 bytes long.
 Data: < &#158;&#194;j&#191;           > 20 9E C2 6A BF 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001BF6AC29260, 16 bytes long.
 Data: <&#248; &#194;j&#191;           > F8 9D C2 6A BF 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001BF6AC24210, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{274} normal block at 0x000001BF6AC293A0, 16 bytes long.
 Data: <&#208; &#194;j&#191;           > D0 9D C2 6A BF 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001BF6AC24810, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{272} normal block at 0x000001BF6AC28C70, 16 bytes long.
 Data: <  &#194;j&#191;           > 18 9D C2 6A BF 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001BF6AC29580, 16 bytes long.
 Data: <&#240;&#156;&#194;j&#191;           > F0 9C C2 6A BF 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001BF6AC29350, 16 bytes long.
 Data: <&#200;&#156;&#194;j&#191;           > C8 9C C2 6A BF 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001BF6AC28C20, 16 bytes long.
 Data: <&#160;&#156;&#194;j&#191;           > A0 9C C2 6A BF 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001BF6AC28D10, 16 bytes long.
 Data: <x&#156;&#194;j&#191;           > 78 9C C2 6A BF 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001BF6AC29AD0, 16 bytes long.
 Data: <P&#156;&#194;j&#191;           > 50 9C C2 6A BF 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001BF6AC28EF0, 16 bytes long.
 Data: <&#208; &#194;j&#191;           > D0 81 C2 6A BF 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001BF6AC281D0, 40 bytes long.
 Data: <&#240;&#142;&#194;j&#191;    &#241;&#171;l&#191;   > F0 8E C2 6A BF 01 00 00 90 F1 AB 6C BF 01 00 00 
{263} normal block at 0x000001BF6AC28E00, 16 bytes long.
 Data: <0&#156;&#194;j&#191;           > 30 9C C2 6A BF 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001BF6AC29530, 16 bytes long.
 Data: < &#156;&#194;j&#191;           > 08 9C C2 6A BF 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001BF6AC243F0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{260} normal block at 0x000001BF6AC29B70, 16 bytes long.
 Data: <&#224;&#155;&#194;j&#191;           > E0 9B C2 6A BF 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001BF6AC29BE0, 992 bytes long.
 Data: <p&#155;&#194;j&#191;   &#240;C&#194;j&#191;   > 70 9B C2 6A BF 01 00 00 F0 43 C2 6A BF 01 00 00 
{95} normal block at 0x000001BF6AC241B0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{94} normal block at 0x000001BF6AC210E0, 16 bytes long.
 Data: < 0&#193;j&#191;           > 00 30 C1 6A BF 01 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x000001BF6AC13000, 40 bytes long.
 Data: <&#224; &#194;j&#191;   &#176;A&#194;j&#191;   > E0 10 C2 6A BF 01 00 00 B0 41 C2 6A BF 01 00 00 
{72} normal block at 0x000001BF6AC212C0, 16 bytes long.
 Data: < &#234;\C&#247;           > 80 EA 5C 43 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001BF6AC21400, 16 bytes long.
 Data: <@&#233;\C&#247;           > 40 E9 5C 43 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001BF6AC20D70, 16 bytes long.
 Data: <&#248;WYC&#247;           > F8 57 59 43 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001BF6AC213B0, 16 bytes long.
 Data: <&#216;WYC&#247;           > D8 57 59 43 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001BF6AC21270, 16 bytes long.
 Data: <P YC&#247;           > 50 04 59 43 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001BF6AC21A40, 16 bytes long.
 Data: <0 YC&#247;           > 30 04 59 43 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001BF6AC21630, 16 bytes long.
 Data: <&#224; YC&#247;           > E0 02 59 43 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001BF6AC214A0, 16 bytes long.
 Data: <  YC&#247;           > 10 04 59 43 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001BF6AC21AE0, 16 bytes long.
 Data: <p YC&#247;           > 70 04 59 43 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001BF6AC20FF0, 16 bytes long.
 Data: < &#192;WC&#247;           > 18 C0 57 43 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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