Task 38670600

Name test_831-GPUGRID_TEST_ATM_40STEP_20261023-16-40-RND9578_0
Workunit 31612841
Created 25 Oct 2026, 18:02:05 UTC
Sent 25 Oct 2026, 18:02:11 UTC
Report deadline 30 Oct 2026, 18:02:11 UTC
Received 25 Oct 2026, 19:30:22 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 638123
Run time 32 min 51 sec
CPU time 31 min 12 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 11,615.78 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 761.23 MB
Peak swap size 9.92 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.15</core_client_version>
<![CDATA[
<stderr_txt>
14:57:30 (27828): wrapper (7.9.26016): starting
14:57:30 (27828): 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
14:57:31 (27828): Library/usr/bin/tar.exe exited; CPU time 0.000000
14:57:31 (27828): 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\5\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\5\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
15:29:42 (27828): C:/Windows/system32/cmd.exe exited; CPU time 1872.562500
15:29:42 (27828): 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: 41024963 bytes.
Dumping objects ->
{3835478} normal block at 0x00000266B2E4D6C0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835467} normal block at 0x00000266B2E4D9D0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835456} normal block at 0x00000266B2E4D8F0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835445} normal block at 0x00000266B11B4C50, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835434} normal block at 0x00000266B11B4B70, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835403} normal block at 0x00000266B2E98950, 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) : {3835390} normal block at 0x00000266B11B1730, 8 bytes long.
 Data: <  e&#177;f   > 00 00 65 B1 66 02 00 00 
{3833961} normal block at 0x00000266B11B0BA0, 8 bytes long.
 Data: <`R&#239;&#178;f   > 60 52 EF B2 66 02 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x00000266B11A6490, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000266B11A7270, 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 0x00000266B11B5A00, 16 bytes long.
 Data: <&#216;V &#177;f           > D8 56 1B B1 66 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000266B11B6720, 16 bytes long.
 Data: <&#176;V &#177;f           > B0 56 1B B1 66 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000266B11AFB60, 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 0x00000266B11B5CD0, 16 bytes long.
 Data: < V &#177;f           > 88 56 1B B1 66 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000266B11B5C80, 16 bytes long.
 Data: <`V &#177;f           > 60 56 1B B1 66 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000266B11B5E60, 16 bytes long.
 Data: <8V &#177;f           > 38 56 1B B1 66 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000266B11B6770, 16 bytes long.
 Data: < V &#177;f           > 10 56 1B B1 66 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000266B11B4940, 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 0x00000266B11B6310, 16 bytes long.
 Data: < &#185; &#177;f           > 08 B9 19 B1 66 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000266B11AFB00, 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 0x00000266B11B6400, 16 bytes long.
 Data: <&#224;&#184; &#177;f           > E0 B8 19 B1 66 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000266B11B5910, 16 bytes long.
 Data: <&#184;&#184; &#177;f           > B8 B8 19 B1 66 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000266B11B65E0, 16 bytes long.
 Data: < &#184; &#177;f           > 90 B8 19 B1 66 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000266B11B5DC0, 16 bytes long.
 Data: <h&#184; &#177;f           > 68 B8 19 B1 66 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000266B11B6270, 16 bytes long.
 Data: <@&#184; &#177;f           > 40 B8 19 B1 66 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000266B11B5E10, 16 bytes long.
 Data: < &#184; &#177;f           > 18 B8 19 B1 66 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000266B11AF920, 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 0x00000266B11B66D0, 16 bytes long.
 Data: <&#240;&#183; &#177;f           > F0 B7 19 B1 66 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000266B119B7F0, 320 bytes long.
 Data: <&#208;f &#177;f    &#249; &#177;f   > D0 66 1B B1 66 02 00 00 20 F9 1A B1 66 02 00 00 
{276} normal block at 0x00000266B11B5870, 16 bytes long.
 Data: <&#240;U &#177;f           > F0 55 1B B1 66 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000266B11B5FF0, 16 bytes long.
 Data: <&#200;U &#177;f           > C8 55 1B B1 66 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000266B11AF9E0, 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 0x00000266B11B5820, 16 bytes long.
 Data: <&#160;U &#177;f           > A0 55 1B B1 66 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000266B11B0160, 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 0x00000266B11B6090, 16 bytes long.
 Data: <&#232;T &#177;f           > E8 54 1B B1 66 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000266B11B5BE0, 16 bytes long.
 Data: <&#192;T &#177;f           > C0 54 1B B1 66 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000266B11B5AF0, 16 bytes long.
 Data: < T &#177;f           > 98 54 1B B1 66 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000266B11B5F00, 16 bytes long.
 Data: <pT &#177;f           > 70 54 1B B1 66 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000266B11B6130, 16 bytes long.
 Data: <HT &#177;f           > 48 54 1B B1 66 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000266B11B0FB0, 16 bytes long.
 Data: < T &#177;f           > 20 54 1B B1 66 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000266B11B0F60, 16 bytes long.
 Data: <&#160;M &#177;f           > A0 4D 1B B1 66 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000266B11B4DA0, 40 bytes long.
 Data: <`  &#177;f   P&#137;&#233;&#178;f   > 60 0F 1B B1 66 02 00 00 50 89 E9 B2 66 02 00 00 
{262} normal block at 0x00000266B11B09C0, 16 bytes long.
 Data: < T &#177;f           > 00 54 1B B1 66 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000266B11B1780, 16 bytes long.
 Data: <&#216;S &#177;f           > D8 53 1B B1 66 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000266B11B0760, 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 0x00000266B11B1690, 16 bytes long.
 Data: <&#176;S &#177;f           > B0 53 1B B1 66 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000266B11B53B0, 992 bytes long.
 Data: <   &#177;f   `  &#177;f   > 90 16 1B B1 66 02 00 00 60 07 1B B1 66 02 00 00 
{94} normal block at 0x00000266B11B0700, 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 0x00000266B11B0B50, 16 bytes long.
 Data: <`H &#177;f           > 60 48 1B B1 66 02 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x00000266B11B4860, 40 bytes long.
 Data: <P  &#177;f      &#177;f   > 50 0B 1B B1 66 02 00 00 00 07 1B B1 66 02 00 00 
{71} normal block at 0x00000266B11B0DD0, 16 bytes long.
 Data: < &#234; ;&#247;           > 80 EA 98 3B F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000266B11B1230, 16 bytes long.
 Data: <@&#233; ;&#247;           > 40 E9 98 3B F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000266B11B0D80, 16 bytes long.
 Data: <&#248;W&#149;;&#247;           > F8 57 95 3B F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000266B11B1550, 16 bytes long.
 Data: <&#216;W&#149;;&#247;           > D8 57 95 3B F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000266B11B1370, 16 bytes long.
 Data: <P &#149;;&#247;           > 50 04 95 3B F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000266B11B0D30, 16 bytes long.
 Data: <0 &#149;;&#247;           > 30 04 95 3B F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000266B11B1140, 16 bytes long.
 Data: <&#224; &#149;;&#247;           > E0 02 95 3B F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000266B11B11E0, 16 bytes long.
 Data: <  &#149;;&#247;           > 10 04 95 3B F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000266B11B1500, 16 bytes long.
 Data: <p &#149;;&#247;           > 70 04 95 3B F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000266B11B16E0, 16 bytes long.
 Data: < &#192;&#147;;&#247;           > 18 C0 93 3B F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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