Task 38645737

Name test_363-GPUGRID_TEST_ATM_500_20261023-0-1-RND0016_0
Workunit 31590700
Created 23 Oct 2026, 16:12:27 UTC
Sent 23 Oct 2026, 16:23:55 UTC
Report deadline 28 Oct 2026, 16:23:55 UTC
Received 23 Oct 2026, 16:51:20 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 629480
Run time 21 min 10 sec
CPU time 19 min 39 sec
Validate state Valid
Credit 1,000.00
Device peak FLOPS 22,590.50 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 742.69 MB
Peak swap size 9.91 GB
Peak disk usage 2.97 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
11:30:56 (19108): wrapper (7.9.26016): starting
11:30:56 (19108): 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
11:30:57 (19108): Library/usr/bin/tar.exe exited; CPU time 0.015625
11:30:57 (19108): 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\1\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\1\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
11:51:01 (19108): C:/Windows/system32/cmd.exe exited; CPU time 1178.984375
11:51:01 (19108): 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: 23780569 bytes.
Dumping objects ->
{3835519} normal block at 0x000001F71B24CCD0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835508} normal block at 0x000001F71B24C9C0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835497} normal block at 0x000001F71B24CE20, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835486} normal block at 0x000001F71B24CB10, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835475} normal block at 0x000001F71B24C8E0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835444} normal block at 0x000001F71CF69C10, 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) : {3835431} normal block at 0x000001F71B21F1D0, 8 bytes long.
 Data: <  &#132; &#247;   > 00 00 84 1B F7 01 00 00 
{3833959} normal block at 0x000001F71B21FB30, 8 bytes long.
 Data: <P*! &#247;   > 50 2A 21 1B F7 01 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x000001F71B21CE10, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001F71B2163D0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{295} normal block at 0x000001F71B229AF0, 16 bytes long.
 Data: <H&#162;" &#247;           > 48 A2 22 1B F7 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001F71B229230, 16 bytes long.
 Data: < &#162;" &#247;           > 20 A2 22 1B F7 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001F71B224FC0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{292} normal block at 0x000001F71B229190, 16 bytes long.
 Data: <&#248;&#161;" &#247;           > F8 A1 22 1B F7 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001F71B229320, 16 bytes long.
 Data: <&#208;&#161;" &#247;           > D0 A1 22 1B F7 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001F71B2290F0, 16 bytes long.
 Data: <&#168;&#161;" &#247;           > A8 A1 22 1B F7 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001F71B2298C0, 16 bytes long.
 Data: < &#161;" &#247;           > 80 A1 22 1B F7 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001F71B2235D0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{287} normal block at 0x000001F71B229410, 16 bytes long.
 Data: < E! &#247;           > 08 45 21 1B F7 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001F71B225380, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{285} normal block at 0x000001F71B229820, 16 bytes long.
 Data: <&#224;D! &#247;           > E0 44 21 1B F7 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001F71B228FB0, 16 bytes long.
 Data: <&#184;D! &#247;           > B8 44 21 1B F7 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001F71B229780, 16 bytes long.
 Data: < D! &#247;           > 90 44 21 1B F7 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001F71B229CD0, 16 bytes long.
 Data: <hD! &#247;           > 68 44 21 1B F7 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001F71B2295F0, 16 bytes long.
 Data: <@D! &#247;           > 40 44 21 1B F7 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001F71B229D70, 16 bytes long.
 Data: < D! &#247;           > 18 44 21 1B F7 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001F71B224F00, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{277} normal block at 0x000001F71B2295A0, 16 bytes long.
 Data: <&#240;C! &#247;           > F0 43 21 1B F7 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001F71B2143F0, 320 bytes long.
 Data: <&#160;&#149;" &#247;    O" &#247;   > A0 95 22 1B F7 01 00 00 00 4F 22 1B F7 01 00 00 
{275} normal block at 0x000001F71B229730, 16 bytes long.
 Data: <`&#161;" &#247;           > 60 A1 22 1B F7 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001F71B229550, 16 bytes long.
 Data: <8&#161;" &#247;           > 38 A1 22 1B F7 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001F71B224900, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{272} normal block at 0x000001F71B229AA0, 16 bytes long.
 Data: < &#161;" &#247;           > 10 A1 22 1B F7 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001F71B224F60, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{270} normal block at 0x000001F71B2292D0, 16 bytes long.
 Data: <X&#160;" &#247;           > 58 A0 22 1B F7 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001F71B2296E0, 16 bytes long.
 Data: <0&#160;" &#247;           > 30 A0 22 1B F7 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001F71B229370, 16 bytes long.
 Data: < &#160;" &#247;           > 08 A0 22 1B F7 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001F71B229280, 16 bytes long.
 Data: <&#224;&#159;" &#247;           > E0 9F 22 1B F7 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001F71B228F60, 16 bytes long.
 Data: <&#184;&#159;" &#247;           > B8 9F 22 1B F7 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001F71B2299B0, 16 bytes long.
 Data: < &#159;" &#247;           > 90 9F 22 1B F7 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001F71B229EB0, 16 bytes long.
 Data: < 4" &#247;           > 10 34 22 1B F7 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001F71B223410, 40 bytes long.
 Data: <&#176;&#158;" &#247;    &#156;&#246; &#247;   > B0 9E 22 1B F7 01 00 00 10 9C F6 1C F7 01 00 00 
{261} normal block at 0x000001F71B2291E0, 16 bytes long.
 Data: <p&#159;" &#247;           > 70 9F 22 1B F7 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001F71B229500, 16 bytes long.
 Data: <H&#159;" &#247;           > 48 9F 22 1B F7 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001F71B225020, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{258} normal block at 0x000001F71B2294B0, 16 bytes long.
 Data: < &#159;" &#247;           > 20 9F 22 1B F7 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001F71B229F20, 992 bytes long.
 Data: <&#176;&#148;" &#247;    P" &#247;   > B0 94 22 1B F7 01 00 00 20 50 22 1B F7 01 00 00 
{93} normal block at 0x000001F71B224C60, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{92} normal block at 0x000001F71B21F540, 16 bytes long.
 Data: < 0" &#247;           > 90 30 22 1B F7 01 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x000001F71B223090, 40 bytes long.
 Data: <@&#245;! &#247;   `L" &#247;   > 40 F5 21 1B F7 01 00 00 60 4C 22 1B F7 01 00 00 
{70} normal block at 0x000001F71B21FAE0, 16 bytes long.
 Data: < &#234; &#160;&#247;           > 80 EA 16 A0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001F71B21F720, 16 bytes long.
 Data: <@&#233; &#160;&#247;           > 40 E9 16 A0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001F71B21F9A0, 16 bytes long.
 Data: <&#248;W &#160;&#247;           > F8 57 13 A0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001F71B21F450, 16 bytes long.
 Data: <&#216;W &#160;&#247;           > D8 57 13 A0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001F71B21FDB0, 16 bytes long.
 Data: <P  &#160;&#247;           > 50 04 13 A0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001F71B21FA90, 16 bytes long.
 Data: <0  &#160;&#247;           > 30 04 13 A0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001F71B21F9F0, 16 bytes long.
 Data: <&#224;  &#160;&#247;           > E0 02 13 A0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001F71B21F680, 16 bytes long.
 Data: <   &#160;&#247;           > 10 04 13 A0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001F71B21F7C0, 16 bytes long.
 Data: <p  &#160;&#247;           > 70 04 13 A0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001F71B21F0E0, 16 bytes long.
 Data: < &#192; &#160;&#247;           > 18 C0 11 A0 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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