Task 38685250

Name test_766-GPUGRID_TEST_ATM_40STEP_20261023-32-40-RND4433_0
Workunit 31626727
Created 27 Oct 2026, 20:10:34 UTC
Sent 27 Oct 2026, 20:10:40 UTC
Report deadline 1 Nov 2026, 20:10:40 UTC
Received 27 Oct 2026, 20:45:46 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 630577
Run time 34 min 14 sec
CPU time 30 min 10 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 19,410.98 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 709.07 MB
Peak swap size 6.87 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
21:12:29 (4660): wrapper (7.9.26016): starting
21:12:29 (4660): 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
21:12:30 (4660): Library/usr/bin/tar.exe exited; CPU time 0.000000
21:12:30 (4660): 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 'D:\BoincData\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 'D:\BoincData\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
21:45:09 (4660): C:/Windows/system32/cmd.exe exited; CPU time 1810.875000
21:45:09 (4660): called boinc_finish(0)
0 bytes in 0 Free Blocks.
380 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: 28172633 bytes.
Dumping objects ->
{3835268} normal block at 0x0000020CE6221330, 48 bytes long.
 Data: <PATH=D:\BoincDat> 50 41 54 48 3D 44 3A 5C 42 6F 69 6E 63 44 61 74 
{3835257} normal block at 0x0000020CE6364D40, 32 bytes long.
 Data: <HOME=D:\BoincDat> 48 4F 4D 45 3D 44 3A 5C 42 6F 69 6E 63 44 61 74 
{3835246} normal block at 0x0000020CE6364E00, 32 bytes long.
 Data: <TMP=D:\BoincData> 54 4D 50 3D 44 3A 5C 42 6F 69 6E 63 44 61 74 61 
{3835235} normal block at 0x0000020CE6364CE0, 32 bytes long.
 Data: <TEMP=D:\BoincDat> 54 45 4D 50 3D 44 3A 5C 42 6F 69 6E 63 44 61 74 
{3835224} normal block at 0x0000020CE63648C0, 32 bytes long.
 Data: <TMPDIR=D:\BoincD> 54 4D 50 44 49 52 3D 44 3A 5C 42 6F 69 6E 63 44 
{3835193} normal block at 0x0000020CE6220AE0, 48 bytes long.
 Data: <PATH=D:\BoincDat> 50 41 54 48 3D 44 3A 5C 42 6F 69 6E 63 44 61 74 
{3835182} normal block at 0x0000020CE632CF00, 102 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) : {3835179} normal block at 0x0000020CE4777AD0, 8 bytes long.
 Data: <   &#230;    > 00 00 08 E6 0C 02 00 00 
{3834558} normal block at 0x0000020CE632CC40, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833951} normal block at 0x0000020CE47778A0, 8 bytes long.
 Data: <  7&#230;    > 90 15 37 E6 0C 02 00 00 
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x0000020CE4782640, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000020CE476DE20, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{291} normal block at 0x0000020CE4783DB0, 16 bytes long.
 Data: <xHx&#228;            > 78 48 78 E4 0C 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000020CE4784030, 16 bytes long.
 Data: <PHx&#228;            > 50 48 78 E4 0C 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000020CE477DE90, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{288} normal block at 0x0000020CE4783F90, 16 bytes long.
 Data: <(Hx&#228;            > 28 48 78 E4 0C 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000020CE4784260, 16 bytes long.
 Data: < Hx&#228;            > 00 48 78 E4 0C 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000020CE4783860, 16 bytes long.
 Data: <&#216;Gx&#228;            > D8 47 78 E4 0C 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000020CE47844E0, 16 bytes long.
 Data: <&#176;Gx&#228;            > B0 47 78 E4 0C 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000020CE477C330, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{283} normal block at 0x0000020CE4783F40, 16 bytes long.
 Data: <X^v&#228;            > 58 5E 76 E4 0C 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000020CE477DD10, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{281} normal block at 0x0000020CE4783630, 16 bytes long.
 Data: <0^v&#228;            > 30 5E 76 E4 0C 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000020CE4783D60, 16 bytes long.
 Data: < ^v&#228;            > 08 5E 76 E4 0C 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000020CE47843A0, 16 bytes long.
 Data: <&#224;]v&#228;            > E0 5D 76 E4 0C 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000020CE47836D0, 16 bytes long.
 Data: <&#184;]v&#228;            > B8 5D 76 E4 0C 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000020CE47840D0, 16 bytes long.
 Data: < ]v&#228;            > 90 5D 76 E4 0C 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000020CE4783EF0, 16 bytes long.
 Data: <h]v&#228;            > 68 5D 76 E4 0C 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000020CE477DAD0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{273} normal block at 0x0000020CE4784350, 16 bytes long.
 Data: <@]v&#228;            > 40 5D 76 E4 0C 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000020CE4765D40, 320 bytes long.
 Data: <PCx&#228;    &#208;&#218;w&#228;    > 50 43 78 E4 0C 02 00 00 D0 DA 77 E4 0C 02 00 00 
{271} normal block at 0x0000020CE4784300, 16 bytes long.
 Data: < Gx&#228;            > 90 47 78 E4 0C 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000020CE4783720, 16 bytes long.
 Data: <hGx&#228;            > 68 47 78 E4 0C 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000020CE477E610, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{268} normal block at 0x0000020CE4784210, 16 bytes long.
 Data: <@Gx&#228;            > 40 47 78 E4 0C 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000020CE477D950, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{266} normal block at 0x0000020CE4783D10, 16 bytes long.
 Data: < Fx&#228;            > 88 46 78 E4 0C 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000020CE4783680, 16 bytes long.
 Data: <`Fx&#228;            > 60 46 78 E4 0C 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000020CE47839F0, 16 bytes long.
 Data: <8Fx&#228;            > 38 46 78 E4 0C 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000020CE4783EA0, 16 bytes long.
 Data: < Fx&#228;            > 10 46 78 E4 0C 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000020CE4783E50, 16 bytes long.
 Data: <&#232;Ex&#228;            > E8 45 78 E4 0C 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000020CE4784080, 16 bytes long.
 Data: <&#192;Ex&#228;            > C0 45 78 E4 0C 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000020CE4783770, 16 bytes long.
 Data: <`&#197;w&#228;            > 60 C5 77 E4 0C 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000020CE477C560, 40 bytes long.
 Data: <p7x&#228;    &#224; "&#230;    > 70 37 78 E4 0C 02 00 00 E0 0A 22 E6 0C 02 00 00 
{257} normal block at 0x0000020CE47841C0, 16 bytes long.
 Data: <&#160;Ex&#228;            > A0 45 78 E4 0C 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000020CE4783CC0, 16 bytes long.
 Data: <xEx&#228;            > 78 45 78 E4 0C 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000020CE477E2B0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{254} normal block at 0x0000020CE47839A0, 16 bytes long.
 Data: <PEx&#228;            > 50 45 78 E4 0C 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x0000020CE4784550, 992 bytes long.
 Data: <&#160;9x&#228;    &#176;&#226;w&#228;    > A0 39 78 E4 0C 02 00 00 B0 E2 77 E4 0C 02 00 00 
{89} normal block at 0x0000020CE477DE30, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{88} normal block at 0x0000020CE4777F80, 16 bytes long.
 Data: < &#199;w&#228;            > 20 C7 77 E4 0C 02 00 00 00 00 00 00 00 00 00 00 
{87} normal block at 0x0000020CE477C720, 40 bytes long.
 Data: <  w&#228;    0&#222;w&#228;    > 80 7F 77 E4 0C 02 00 00 30 DE 77 E4 0C 02 00 00 
{66} normal block at 0x0000020CE4778070, 16 bytes long.
 Data: < &#234;x&#235;&#246;           > 80 EA 78 EB F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000020CE4777850, 16 bytes long.
 Data: <@&#233;x&#235;&#246;           > 40 E9 78 EB F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000020CE4777490, 16 bytes long.
 Data: <&#248;Wu&#235;&#246;           > F8 57 75 EB F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000020CE4778250, 16 bytes long.
 Data: <&#216;Wu&#235;&#246;           > D8 57 75 EB F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000020CE4777710, 16 bytes long.
 Data: <P u&#235;&#246;           > 50 04 75 EB F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000020CE4777530, 16 bytes long.
 Data: <0 u&#235;&#246;           > 30 04 75 EB F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000020CE47775D0, 16 bytes long.
 Data: <&#224; u&#235;&#246;           > E0 02 75 EB F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000020CE4777440, 16 bytes long.
 Data: <  u&#235;&#246;           > 10 04 75 EB F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000020CE4777DF0, 16 bytes long.
 Data: <p u&#235;&#246;           > 70 04 75 EB F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000020CE4777800, 16 bytes long.
 Data: < &#192;s&#235;&#246;           > 18 C0 73 EB F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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