Task 38676845

Name test_989-GPUGRID_TEST_ATM_40STEP_20261023-10-40-RND6001_0
Workunit 31618739
Created 26 Oct 2026, 12:31:11 UTC
Sent 26 Oct 2026, 12:31:16 UTC
Report deadline 31 Oct 2026, 12:31:16 UTC
Received 26 Oct 2026, 14:56:36 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 562435
Run time 1 hours 42 min 32 sec
CPU time 1 hours 31 min 39 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 5,156.89 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 674.13 MB
Peak swap size 2.19 GB
Peak disk usage 3.02 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
07:16:09 (8352): wrapper (7.9.26016): starting
07:16:10 (8352): 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
07:16:13 (8352): Library/usr/bin/tar.exe exited; CPU time 0.000000
07:16:13 (8352): 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\3\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\3\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
08:55:51 (8352): C:/Windows/system32/cmd.exe exited; CPU time 5499.562500
08:55:51 (8352): called boinc_finish(0)
0 bytes in 0 Free Blocks.
726 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: 64491073 bytes.
Dumping objects ->
{3835252} normal block at 0x0000022522448B80, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835241} normal block at 0x0000022522448870, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835230} normal block at 0x0000022522448E20, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835219} normal block at 0x0000022522448640, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835208} normal block at 0x0000022522449520, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835177} normal block at 0x0000022523E3B080, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835165} normal block at 0x0000022522423940, 235 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) : {3835162} normal block at 0x00000225224173C0, 8 bytes long.
 Data: <  6"%   > 00 00 36 22 25 02 00 00 
{3834555} normal block at 0x0000022522422FC0, 235 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833945} normal block at 0x0000022522417BE0, 8 bytes long.
 Data: <&#192;'&#241;#%   > C0 27 F1 23 25 02 00 00 
..\zip\boinc_zip.cpp(122) : {304} normal block at 0x0000022522420DA0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002252240AD70, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{288} normal block at 0x00000225224221A0, 16 bytes long.
 Data: <&#168;BB"%           > A8 42 42 22 25 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000022522422100, 16 bytes long.
 Data: < BB"%           > 80 42 42 22 25 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002252241D3D0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{285} normal block at 0x0000022522422740, 16 bytes long.
 Data: <XBB"%           > 58 42 42 22 25 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000225224220B0, 16 bytes long.
 Data: <0BB"%           > 30 42 42 22 25 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000022522421FC0, 16 bytes long.
 Data: < BB"%           > 08 42 42 22 25 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000022522422290, 16 bytes long.
 Data: <&#224;AB"%           > E0 41 42 22 25 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002252241C380, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{280} normal block at 0x0000022522421F70, 16 bytes long.
 Data: <X[@"%           > 58 5B 40 22 25 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002252241DC70, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{278} normal block at 0x0000022522421F20, 16 bytes long.
 Data: <0[@"%           > 30 5B 40 22 25 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000022522421ED0, 16 bytes long.
 Data: < [@"%           > 08 5B 40 22 25 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000225224226A0, 16 bytes long.
 Data: <&#224;Z@"%           > E0 5A 40 22 25 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000022522422B00, 16 bytes long.
 Data: <&#184;Z@"%           > B8 5A 40 22 25 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000022522422AB0, 16 bytes long.
 Data: < Z@"%           > 90 5A 40 22 25 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000022522422A60, 16 bytes long.
 Data: <hZ@"%           > 68 5A 40 22 25 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002252241D1F0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{270} normal block at 0x0000022522421E80, 16 bytes long.
 Data: <@Z@"%           > 40 5A 40 22 25 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000022522405A40, 320 bytes long.
 Data: <  B"%   &#240;&#209;A"%   > 80 1E 42 22 25 02 00 00 F0 D1 41 22 25 02 00 00 
{268} normal block at 0x0000022522422A10, 16 bytes long.
 Data: <&#192;AB"%           > C0 41 42 22 25 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000022522422830, 16 bytes long.
 Data: < AB"%           > 98 41 42 22 25 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002252241D4F0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{265} normal block at 0x0000022522422510, 16 bytes long.
 Data: <pAB"%           > 70 41 42 22 25 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002252241D490, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{263} normal block at 0x00000225224226F0, 16 bytes long.
 Data: <&#184;@B"%           > B8 40 42 22 25 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000022522422420, 16 bytes long.
 Data: < @B"%           > 90 40 42 22 25 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000225224229C0, 16 bytes long.
 Data: <h@B"%           > 68 40 42 22 25 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000022522422970, 16 bytes long.
 Data: <@@B"%           > 40 40 42 22 25 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000022522422880, 16 bytes long.
 Data: < @B"%           > 18 40 42 22 25 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000022522421CF0, 16 bytes long.
 Data: <&#240;?B"%           > F0 3F 42 22 25 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x00000225224223D0, 16 bytes long.
 Data: <&#208;&#189;A"%           > D0 BD 41 22 25 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000002252241BDD0, 40 bytes long.
 Data: <&#208;#B"%    &#176;&#227;#%   > D0 23 42 22 25 02 00 00 80 B0 E3 23 25 02 00 00 
{254} normal block at 0x0000022522421E30, 16 bytes long.
 Data: <&#208;?B"%           > D0 3F 42 22 25 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x0000022522421C00, 16 bytes long.
 Data: <&#168;?B"%           > A8 3F 42 22 25 02 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x000002252241D8B0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{251} normal block at 0x0000022522422920, 16 bytes long.
 Data: < ?B"%           > 80 3F 42 22 25 02 00 00 00 00 00 00 00 00 00 00 
{250} normal block at 0x0000022522423F80, 992 bytes long.
 Data: < )B"%   &#176;&#216;A"%   > 20 29 42 22 25 02 00 00 B0 D8 41 22 25 02 00 00 
{86} normal block at 0x000002252241DC10, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{85} normal block at 0x0000022522417370, 16 bytes long.
 Data: <&#224;&#192;A"%           > E0 C0 41 22 25 02 00 00 00 00 00 00 00 00 00 00 
{84} normal block at 0x000002252241C0E0, 40 bytes long.
 Data: <psA"%    &#220;A"%   > 70 73 41 22 25 02 00 00 10 DC 41 22 25 02 00 00 
{63} normal block at 0x00000225224179B0, 16 bytes long.
 Data: < &#234;&#201;^&#247;           > 80 EA C9 5E F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000022522417B40, 16 bytes long.
 Data: <@&#233;&#201;^&#247;           > 40 E9 C9 5E F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000022522417140, 16 bytes long.
 Data: <&#248;W&#198;^&#247;           > F8 57 C6 5E F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000022522417780, 16 bytes long.
 Data: <&#216;W&#198;^&#247;           > D8 57 C6 5E F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000022522417730, 16 bytes long.
 Data: <P &#198;^&#247;           > 50 04 C6 5E F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000022522417F00, 16 bytes long.
 Data: <0 &#198;^&#247;           > 30 04 C6 5E F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000022522417EB0, 16 bytes long.
 Data: <&#224; &#198;^&#247;           > E0 02 C6 5E F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x0000022522417460, 16 bytes long.
 Data: <  &#198;^&#247;           > 10 04 C6 5E F7 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x0000022522417320, 16 bytes long.
 Data: <p &#198;^&#247;           > 70 04 C6 5E F7 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x0000022522417280, 16 bytes long.
 Data: < &#192;&#196;^&#247;           > 18 C0 C4 5E F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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