Task 38679967

Name test_967-GPUGRID_TEST_ATM_40STEP_20261023-26-40-RND6457_0
Workunit 31621718
Created 26 Oct 2026, 22:21:04 UTC
Sent 26 Oct 2026, 22:21:08 UTC
Report deadline 31 Oct 2026, 22:21:08 UTC
Received 26 Oct 2026, 22:51:51 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 646979
Run time 16 min 58 sec
CPU time 15 min 21 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 83,070.51 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 761.28 MB
Peak swap size 10.17 GB
Peak disk usage 3.02 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
07:35:12 (7436): wrapper (7.9.26016): starting
07:35:12 (7436): 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
07:35:13 (7436): Library/usr/bin/tar.exe exited; CPU time 0.000000
07:35:13 (7436): 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\24\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\24\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
07:51:25 (7436): C:/Windows/system32/cmd.exe exited; CPU time 921.125000
07:51:25 (7436): called boinc_finish(0)
0 bytes in 0 Free Blocks.
456 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: 18893477 bytes.
Dumping objects ->
{3835586} normal block at 0x000002481A23BE40, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835575} normal block at 0x000002481A23C000, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835564} normal block at 0x00000248181B4A20, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835553} normal block at 0x00000248181B49B0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835542} normal block at 0x00000248181B4940, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835511} normal block at 0x000002481A2882E0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835500} normal block at 0x000002481A29C760, 100 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) : {3835497} normal block at 0x00000248181AE900, 8 bytes long.
 Data: <    H   > 00 00 84 18 48 02 00 00 
{3834771} normal block at 0x000002481A29CBC0, 100 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3834061} normal block at 0x00000248181AF080, 8 bytes long.
 Data: < &#217;  H   > F0 D9 19 18 48 02 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x00000248181B0EF0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x00000248181A5A00, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{297} normal block at 0x00000248181B6300, 16 bytes long.
 Data: < S  H           > F8 53 1B 18 48 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000248181B61C0, 16 bytes long.
 Data: <&#208;S  H           > D0 53 1B 18 48 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000248181ACCE0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{294} normal block at 0x00000248181B59F0, 16 bytes long.
 Data: <&#168;S  H           > A8 53 1B 18 48 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000248181B6490, 16 bytes long.
 Data: < S  H           > 80 53 1B 18 48 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000248181B5EF0, 16 bytes long.
 Data: <XS  H           > 58 53 1B 18 48 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000248181B5EA0, 16 bytes long.
 Data: <0S  H           > 30 53 1B 18 48 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000248181B4B00, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{289} normal block at 0x00000248181B5E50, 16 bytes long.
 Data: < &#183;  H           > 88 B7 19 18 48 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000248181ACC80, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{287} normal block at 0x00000248181B5540, 16 bytes long.
 Data: <`&#183;  H           > 60 B7 19 18 48 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000248181B5AE0, 16 bytes long.
 Data: <8&#183;  H           > 38 B7 19 18 48 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000248181B62B0, 16 bytes long.
 Data: < &#183;  H           > 10 B7 19 18 48 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000248181B5E00, 16 bytes long.
 Data: < &#182;  H           > E8 B6 19 18 48 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000248181B5D60, 16 bytes long.
 Data: <&#192;&#182;  H           > C0 B6 19 18 48 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000248181B6030, 16 bytes long.
 Data: < &#182;  H           > 98 B6 19 18 48 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000248181AD460, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{279} normal block at 0x00000248181B56D0, 16 bytes long.
 Data: <p&#182;  H           > 70 B6 19 18 48 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002481819B670, 320 bytes long.
 Data: <&#208;V  H   `&#212;  H   > D0 56 1B 18 48 02 00 00 60 D4 1A 18 48 02 00 00 
{277} normal block at 0x00000248181B6260, 16 bytes long.
 Data: < S  H           > 10 53 1B 18 48 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000248181B5770, 16 bytes long.
 Data: < R  H           > E8 52 1B 18 48 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000248181ACDA0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{274} normal block at 0x00000248181B5590, 16 bytes long.
 Data: <&#192;R  H           > C0 52 1B 18 48 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000248181AD760, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{272} normal block at 0x00000248181B6210, 16 bytes long.
 Data: < R  H           > 08 52 1B 18 48 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000248181B6350, 16 bytes long.
 Data: < Q  H           > E0 51 1B 18 48 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000248181B59A0, 16 bytes long.
 Data: <&#184;Q  H           > B8 51 1B 18 48 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000248181B5B80, 16 bytes long.
 Data: < Q  H           > 90 51 1B 18 48 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000248181B5860, 16 bytes long.
 Data: <hQ  H           > 68 51 1B 18 48 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000248181AEBD0, 16 bytes long.
 Data: <@Q  H           > 40 51 1B 18 48 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000248181AEB30, 16 bytes long.
 Data: <&#192;L  H           > C0 4C 1B 18 48 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000248181B4CC0, 40 bytes long.
 Data: <0   H     ( H   > 30 EB 1A 18 48 02 00 00 E0 82 28 1A 48 02 00 00 
{263} normal block at 0x00000248181AEA40, 16 bytes long.
 Data: < Q  H           > 20 51 1B 18 48 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000248181AF0D0, 16 bytes long.
 Data: < P  H           > F8 50 1B 18 48 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000248181AD280, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{260} normal block at 0x00000248181AE9F0, 16 bytes long.
 Data: <&#208;P  H           > D0 50 1B 18 48 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000248181B50D0, 992 bytes long.
 Data: <    H    &#210;  H   > F0 E9 1A 18 48 02 00 00 80 D2 1A 18 48 02 00 00 
{95} normal block at 0x00000248181AD880, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{94} normal block at 0x00000248181AF3A0, 16 bytes long.
 Data: <&#192;   H           > C0 F0 19 18 48 02 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x000002481819F0C0, 40 bytes long.
 Data: <    H    &#216;  H   > A0 F3 1A 18 48 02 00 00 80 D8 1A 18 48 02 00 00 
{70} normal block at 0x00000248181AEE50, 16 bytes long.
 Data: <                > 80 EA E9 F7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000248181AEE00, 16 bytes long.
 Data: <@               > 40 E9 E9 F7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000248181AF4E0, 16 bytes long.
 Data: < W              > F8 57 E6 F7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000248181AEEF0, 16 bytes long.
 Data: <&#216;W              > D8 57 E6 F7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000248181AF440, 16 bytes long.
 Data: <P               > 50 04 E6 F7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000248181AE8B0, 16 bytes long.
 Data: <0               > 30 04 E6 F7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000248181AEF40, 16 bytes long.
 Data: <                > E0 02 E6 F7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000248181AF350, 16 bytes long.
 Data: <                > 10 04 E6 F7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000248181AF030, 16 bytes long.
 Data: <p               > 70 04 E6 F7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000248181AE5E0, 16 bytes long.
 Data: < &#192;              > 18 C0 E4 F7 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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