Task 38655279

Name test_848-GPUGRID_TEST_ATM_40STEP_20261023-3-40-RND2410_1
Workunit 31598485
Created 24 Oct 2026, 8:46:46 UTC
Sent 24 Oct 2026, 8:46:59 UTC
Report deadline 29 Oct 2026, 8:46:59 UTC
Received 24 Oct 2026, 9:48:26 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 647482
Run time 20 min 34 sec
CPU time 19 min 43 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 37,850.67 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 692.89 MB
Peak swap size 6.93 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
10:51:47 (21792): wrapper (7.9.26016): starting
10:51:47 (21792): 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
10:51:48 (21792): Library/usr/bin/tar.exe exited; CPU time 0.000000
10:51:48 (21792): 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
11:11:28 (21792): C:/Windows/system32/cmd.exe exited; CPU time 1183.046875
11:11:28 (21792): 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: 17300317 bytes.
Dumping objects ->
{3835197} normal block at 0x000001AACD2ECB30, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835186} normal block at 0x000001AACD2ECAC0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835175} normal block at 0x000001AACD2ED4D0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835164} normal block at 0x000001AACB664670, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835153} normal block at 0x000001AACB664600, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835122} normal block at 0x000001AACD3399C0, 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) : {3835109} normal block at 0x000001AACB660440, 8 bytes long.
 Data: <  ^&#203;&#170;   > 00 00 5E CB AA 01 00 00 
{3833961} normal block at 0x000001AACB65FD60, 8 bytes long.
 Data: <0.<&#205;&#170;   > 30 2E 3C CD AA 01 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x000001AACB6563B0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001AACB6578E0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{296} normal block at 0x000001AACB6658A0, 16 bytes long.
 Data: <(gf&#203;&#170;           > 28 67 66 CB AA 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001AACB665DA0, 16 bytes long.
 Data: < gf&#203;&#170;           > 00 67 66 CB AA 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001AACB661460, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{293} normal block at 0x000001AACB665DF0, 16 bytes long.
 Data: <&#216;ff&#203;&#170;           > D8 66 66 CB AA 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001AACB665EE0, 16 bytes long.
 Data: <&#176;ff&#203;&#170;           > B0 66 66 CB AA 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001AACB665E90, 16 bytes long.
 Data: < ff&#203;&#170;           > 88 66 66 CB AA 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001AACB665E40, 16 bytes long.
 Data: <`ff&#203;&#170;           > 60 66 66 CB AA 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001AACB6647C0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{288} normal block at 0x000001AACB665800, 16 bytes long.
 Data: <&#216;&#241;d&#203;&#170;           > D8 F1 64 CB AA 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001AACB6615E0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{286} normal block at 0x000001AACB665530, 16 bytes long.
 Data: <&#176;&#241;d&#203;&#170;           > B0 F1 64 CB AA 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001AACB665C60, 16 bytes long.
 Data: < &#241;d&#203;&#170;           > 88 F1 64 CB AA 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001AACB665CB0, 16 bytes long.
 Data: <`&#241;d&#203;&#170;           > 60 F1 64 CB AA 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001AACB6662F0, 16 bytes long.
 Data: <8&#241;d&#203;&#170;           > 38 F1 64 CB AA 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001AACB665440, 16 bytes long.
 Data: < &#241;d&#203;&#170;           > 10 F1 64 CB AA 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001AACB665850, 16 bytes long.
 Data: <&#232;&#240;d&#203;&#170;           > E8 F0 64 CB AA 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001AACB660920, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{278} normal block at 0x000001AACB665990, 16 bytes long.
 Data: <&#192;&#240;d&#203;&#170;           > C0 F0 64 CB AA 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001AACB64F0C0, 320 bytes long.
 Data: < Yf&#203;&#170;    	f&#203;&#170;   > 90 59 66 CB AA 01 00 00 20 09 66 CB AA 01 00 00 
{276} normal block at 0x000001AACB665D00, 16 bytes long.
 Data: <@ff&#203;&#170;           > 40 66 66 CB AA 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001AACB665C10, 16 bytes long.
 Data: < ff&#203;&#170;           > 18 66 66 CB AA 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001AACB6612E0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{273} normal block at 0x000001AACB6662A0, 16 bytes long.
 Data: <&#240;ef&#203;&#170;           > F0 65 66 CB AA 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001AACB660F80, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{271} normal block at 0x000001AACB6655D0, 16 bytes long.
 Data: <8ef&#203;&#170;           > 38 65 66 CB AA 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001AACB665F30, 16 bytes long.
 Data: < ef&#203;&#170;           > 10 65 66 CB AA 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001AACB6659E0, 16 bytes long.
 Data: <&#232;df&#203;&#170;           > E8 64 66 CB AA 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001AACB6657B0, 16 bytes long.
 Data: <&#192;df&#203;&#170;           > C0 64 66 CB AA 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001AACB665BC0, 16 bytes long.
 Data: < df&#203;&#170;           > 98 64 66 CB AA 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001AACB665D50, 16 bytes long.
 Data: <pdf&#203;&#170;           > 70 64 66 CB AA 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001AACB665490, 16 bytes long.
 Data: < Lf&#203;&#170;           > 20 4C 66 CB AA 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001AACB664C20, 40 bytes long.
 Data: < Tf&#203;&#170;   &#192; 3&#205;&#170;   > 90 54 66 CB AA 01 00 00 C0 99 33 CD AA 01 00 00 
{262} normal block at 0x000001AACB665580, 16 bytes long.
 Data: <Pdf&#203;&#170;           > 50 64 66 CB AA 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001AACB665760, 16 bytes long.
 Data: <(df&#203;&#170;           > 28 64 66 CB AA 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001AACB661580, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{259} normal block at 0x000001AACB666200, 16 bytes long.
 Data: < df&#203;&#170;           > 00 64 66 CB AA 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001AACB666400, 992 bytes long.
 Data: < bf&#203;&#170;     f&#203;&#170;   > 00 62 66 CB AA 01 00 00 80 15 66 CB AA 01 00 00 
{94} normal block at 0x000001AACB660980, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{93} normal block at 0x000001AACB660300, 16 bytes long.
 Data: < Lf&#203;&#170;           > 90 4C 66 CB AA 01 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x000001AACB664C90, 40 bytes long.
 Data: <  f&#203;&#170;    	f&#203;&#170;   > 00 03 66 CB AA 01 00 00 80 09 66 CB AA 01 00 00 
{71} normal block at 0x000001AACB65FCC0, 16 bytes long.
 Data: < &#234; &#251;&#247;           > 80 EA 03 FB F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001AACB660080, 16 bytes long.
 Data: <@&#233; &#251;&#247;           > 40 E9 03 FB F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001AACB6602B0, 16 bytes long.
 Data: <&#248;W &#251;&#247;           > F8 57 00 FB F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001AACB65FDB0, 16 bytes long.
 Data: <&#216;W &#251;&#247;           > D8 57 00 FB F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001AACB65F770, 16 bytes long.
 Data: <P  &#251;&#247;           > 50 04 00 FB F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001AACB6603F0, 16 bytes long.
 Data: <0  &#251;&#247;           > 30 04 00 FB F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001AACB65FF40, 16 bytes long.
 Data: <&#224;  &#251;&#247;           > E0 02 00 FB F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001AACB6601C0, 16 bytes long.
 Data: <   &#251;&#247;           > 10 04 00 FB F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001AACB65F810, 16 bytes long.
 Data: <p  &#251;&#247;           > 70 04 00 FB F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001AACB65FC70, 16 bytes long.
 Data: < &#192;&#254;&#250;&#247;           > 18 C0 FE FA F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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