Task 38678843

Name test_273-GPUGRID_TEST_ATM_40STEP_20261023-31-40-RND3008_0
Workunit 31620648
Created 26 Oct 2026, 18:40:22 UTC
Sent 26 Oct 2026, 18:40:25 UTC
Report deadline 31 Oct 2026, 18:40:25 UTC
Received 26 Oct 2026, 19:53:39 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 649517
Run time 36 min 26 sec
CPU time 33 min 17 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 12,956.20 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 721.80 MB
Peak swap size 9.88 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
20:18:02 (32992): wrapper (7.9.26016): starting
20:18:02 (32992): 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
20:18:03 (32992): Library/usr/bin/tar.exe exited; CPU time 0.000000
20:18:03 (32992): 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
20:53:12 (32992): C:/Windows/system32/cmd.exe exited; CPU time 1997.187500
20:53:12 (32992): 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: 55806179 bytes.
Dumping objects ->
{3835228} normal block at 0x0000020231762A30, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835217} normal block at 0x0000020231761D10, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835206} normal block at 0x0000020231761E60, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835195} normal block at 0x0000020231762480, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835184} normal block at 0x00000202317628E0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835153} normal block at 0x000002022F98E1F0, 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) : {3835140} normal block at 0x000002022F8B1460, 8 bytes long.
 Data: <  &#218;/    > 00 00 DA 2F 02 02 00 00 
{3833987} normal block at 0x000002022F8B0AB0, 8 bytes long.
 Data: <&#176;&#231;a1    > B0 E7 61 31 02 02 00 00 
..\zip\boinc_zip.cpp(122) : {325} normal block at 0x000002022F8A1D80, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{310} normal block at 0x000002022F8A1300, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{309} normal block at 0x000002022F8BC130, 16 bytes long.
 Data: <x&#201;&#139;/            > 78 C9 8B 2F 02 02 00 00 00 00 00 00 00 00 00 00 
{308} normal block at 0x000002022F8BB6E0, 16 bytes long.
 Data: <P&#201;&#139;/            > 50 C9 8B 2F 02 02 00 00 00 00 00 00 00 00 00 00 
{307} normal block at 0x000002022F8B18C0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{306} normal block at 0x000002022F8BC0E0, 16 bytes long.
 Data: <(&#201;&#139;/            > 28 C9 8B 2F 02 02 00 00 00 00 00 00 00 00 00 00 
{305} normal block at 0x000002022F8BB780, 16 bytes long.
 Data: < &#201;&#139;/            > 00 C9 8B 2F 02 02 00 00 00 00 00 00 00 00 00 00 
{304} normal block at 0x000002022F8BBB90, 16 bytes long.
 Data: <&#216;&#200;&#139;/            > D8 C8 8B 2F 02 02 00 00 00 00 00 00 00 00 00 00 
{303} normal block at 0x000002022F8BBDC0, 16 bytes long.
 Data: <&#176;&#200;&#139;/            > B0 C8 8B 2F 02 02 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x000002022F8B90D0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{301} normal block at 0x000002022F8BBA50, 16 bytes long.
 Data: <X&#224;&#137;/            > 58 E0 89 2F 02 02 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x000002022F8B2100, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{299} normal block at 0x000002022F8BBB40, 16 bytes long.
 Data: <0&#224;&#137;/            > 30 E0 89 2F 02 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000002022F8BC090, 16 bytes long.
 Data: < &#224;&#137;/            > 08 E0 89 2F 02 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000002022F8BC3B0, 16 bytes long.
 Data: <&#224;&#223;&#137;/            > E0 DF 89 2F 02 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002022F8BC040, 16 bytes long.
 Data: <&#184;&#223;&#137;/            > B8 DF 89 2F 02 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000002022F8BC540, 16 bytes long.
 Data: < &#223;&#137;/            > 90 DF 89 2F 02 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002022F8BC2C0, 16 bytes long.
 Data: <h&#223;&#137;/            > 68 DF 89 2F 02 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002022F8B17A0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{291} normal block at 0x000002022F8BBD70, 16 bytes long.
 Data: <@&#223;&#137;/            > 40 DF 89 2F 02 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002022F89DF40, 320 bytes long.
 Data: <p&#189;&#139;/    &#160; &#139;/    > 70 BD 8B 2F 02 02 00 00 A0 17 8B 2F 02 02 00 00 
{289} normal block at 0x000002022F8BBE60, 16 bytes long.
 Data: < &#200;&#139;/            > 90 C8 8B 2F 02 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002022F8BC1D0, 16 bytes long.
 Data: <h&#200;&#139;/            > 68 C8 8B 2F 02 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002022F8B1E00, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{286} normal block at 0x000002022F8BBE10, 16 bytes long.
 Data: <@&#200;&#139;/            > 40 C8 8B 2F 02 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002022F8B1860, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{284} normal block at 0x000002022F8BB7D0, 16 bytes long.
 Data: < &#199;&#139;/            > 88 C7 8B 2F 02 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002022F8BC400, 16 bytes long.
 Data: <`&#199;&#139;/            > 60 C7 8B 2F 02 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002022F8BC220, 16 bytes long.
 Data: <8&#199;&#139;/            > 38 C7 8B 2F 02 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002022F8BC270, 16 bytes long.
 Data: < &#199;&#139;/            > 10 C7 8B 2F 02 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002022F8BBAF0, 16 bytes long.
 Data: <&#232;&#198;&#139;/            > E8 C6 8B 2F 02 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002022F8BBFF0, 16 bytes long.
 Data: <&#192;&#198;&#139;/            > C0 C6 8B 2F 02 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002022F8BC4F0, 16 bytes long.
 Data: <&#176;&#145;&#139;/            > B0 91 8B 2F 02 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002022F8B91B0, 40 bytes long.
 Data: <&#240;&#196;&#139;/    &#240;&#225; /    > F0 C4 8B 2F 02 02 00 00 F0 E1 98 2F 02 02 00 00 
{275} normal block at 0x000002022F8BBFA0, 16 bytes long.
 Data: <&#160;&#198;&#139;/            > A0 C6 8B 2F 02 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002022F8BBAA0, 16 bytes long.
 Data: <x&#198;&#139;/            > 78 C6 8B 2F 02 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002022F8B19E0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{272} normal block at 0x000002022F8BC4A0, 16 bytes long.
 Data: <P&#198;&#139;/            > 50 C6 8B 2F 02 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002022F8BC650, 992 bytes long.
 Data: <&#160;&#196;&#139;/    &#224; &#139;/    > A0 C4 8B 2F 02 02 00 00 E0 19 8B 2F 02 02 00 00 
{107} normal block at 0x000002022F8B1920, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{106} normal block at 0x000002022F8B08D0, 16 bytes long.
 Data: < &#146;&#139;/            > 20 92 8B 2F 02 02 00 00 00 00 00 00 00 00 00 00 
{105} normal block at 0x000002022F8B9220, 40 bytes long.
 Data: <&#208; &#139;/      &#139;/    > D0 08 8B 2F 02 02 00 00 20 19 8B 2F 02 02 00 00 
{84} normal block at 0x000002022F8B15F0, 16 bytes long.
 Data: < &#234;Ls&#247;           > 80 EA 4C 73 F7 7F 00 00 00 00 00 00 00 00 00 00 
{83} normal block at 0x000002022F8B1280, 16 bytes long.
 Data: <@&#233;Ls&#247;           > 40 E9 4C 73 F7 7F 00 00 00 00 00 00 00 00 00 00 
{82} normal block at 0x000002022F8B0790, 16 bytes long.
 Data: <&#248;WIs&#247;           > F8 57 49 73 F7 7F 00 00 00 00 00 00 00 00 00 00 
{81} normal block at 0x000002022F8B0DD0, 16 bytes long.
 Data: <&#216;WIs&#247;           > D8 57 49 73 F7 7F 00 00 00 00 00 00 00 00 00 00 
{80} normal block at 0x000002022F8B0F10, 16 bytes long.
 Data: <P Is&#247;           > 50 04 49 73 F7 7F 00 00 00 00 00 00 00 00 00 00 
{79} normal block at 0x000002022F8B1230, 16 bytes long.
 Data: <0 Is&#247;           > 30 04 49 73 F7 7F 00 00 00 00 00 00 00 00 00 00 
{78} normal block at 0x000002022F8B0E20, 16 bytes long.
 Data: <&#224; Is&#247;           > E0 02 49 73 F7 7F 00 00 00 00 00 00 00 00 00 00 
{77} normal block at 0x000002022F8B0EC0, 16 bytes long.
 Data: <  Is&#247;           > 10 04 49 73 F7 7F 00 00 00 00 00 00 00 00 00 00 
{76} normal block at 0x000002022F8B13C0, 16 bytes long.
 Data: <p Is&#247;           > 70 04 49 73 F7 7F 00 00 00 00 00 00 00 00 00 00 
{75} normal block at 0x000002022F8B0880, 16 bytes long.
 Data: < &#192;Gs&#247;           > 18 C0 47 73 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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