Task 38659712
| Name | test_914-GPUGRID_TEST_ATM_40STEP_20261023-6-40-RND4515_0 |
| Workunit | 31603252 |
| Created | 24 Oct 2026, 13:34:29 UTC |
| Sent | 24 Oct 2026, 13:36:53 UTC |
| Report deadline | 29 Oct 2026, 13:36:53 UTC |
| Received | 24 Oct 2026, 16:06:21 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 648742 |
| Run time | 23 min 33 sec |
| CPU time | 22 min 17 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 17,844.26 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 768.48 MB |
| Peak swap size | 12.98 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
17:16:11 (25124): wrapper (7.9.26016): starting
17:16:11 (25124): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3835360} normal block at 0x000002144F49D5D0, 8 bytes long.
Data: < O > 00 00 95 4F 14 02 00 00
..\lib\diagnostics_win.cpp(417) : {3833956} normal block at 0x00000214513041C0, 1080 bytes long.
Data: < ; < > FC 3B 00 00 CD CD CD CD 3C 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x000002144F4A07A0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
17:42:33 (15052): wrapper (7.9.26016): starting
17:42:33 (15052): 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
17:42:35 (15052): Library/usr/bin/tar.exe exited; CPU time 0.000000
17:42:35 (15052): 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
18:06:05 (15052): C:/Windows/system32/cmd.exe exited; CPU time 1337.953125
18:06:05 (15052): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 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: 22672873 bytes.
Dumping objects ->
{1795} normal block at 0x0000023C91724FB0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1784} normal block at 0x0000023C91724B50, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1773} normal block at 0x0000023C91724D80, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1762} normal block at 0x0000023C917251E0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1751} normal block at 0x0000023C91725090, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1720} normal block at 0x0000023C91713F30, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1709} normal block at 0x0000023C9170B890, 102 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) : {1706} normal block at 0x0000023C91725A40, 8 bytes long.
Data: < < > 00 00 19 93 3C 02 00 00
{992} normal block at 0x0000023C9170C990, 102 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{303} normal block at 0x0000023C91726990, 8 bytes long.
Data: < nr < > 20 6E 72 91 3C 02 00 00
{295} normal block at 0x0000023C91715C30, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{294} normal block at 0x0000023C91726800, 16 bytes long.
Data: <(mr < > 28 6D 72 91 3C 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000023C91726030, 16 bytes long.
Data: < mr < > 00 6D 72 91 3C 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000023C9171EAD0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{291} normal block at 0x0000023C91725E50, 16 bytes long.
Data: < lr < > D8 6C 72 91 3C 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000023C91726080, 16 bytes long.
Data: < lr < > B0 6C 72 91 3C 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000023C91726940, 16 bytes long.
Data: < lr < > 88 6C 72 91 3C 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000023C91725EA0, 16 bytes long.
Data: <`lr < > 60 6C 72 91 3C 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000023C91724ED0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{286} normal block at 0x0000023C91725C70, 16 bytes long.
Data: <( p < > 28 B8 70 91 3C 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000023C9171ED10, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{284} normal block at 0x0000023C917266C0, 16 bytes long.
Data: < p < > 00 B8 70 91 3C 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000023C917267B0, 16 bytes long.
Data: < p < > D8 B7 70 91 3C 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000023C91725C20, 16 bytes long.
Data: < p < > B0 B7 70 91 3C 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000023C91726670, 16 bytes long.
Data: < p < > 88 B7 70 91 3C 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000023C917268F0, 16 bytes long.
Data: <` p < > 60 B7 70 91 3C 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000023C91726260, 16 bytes long.
Data: <8 p < > 38 B7 70 91 3C 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000023C9171E830, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{276} normal block at 0x0000023C91726580, 16 bytes long.
Data: < p < > 10 B7 70 91 3C 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000023C9170B710, 320 bytes long.
Data: < er < 0 q < > 80 65 72 91 3C 02 00 00 30 E8 71 91 3C 02 00 00
{274} normal block at 0x0000023C917263F0, 16 bytes long.
Data: <@lr < > 40 6C 72 91 3C 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000023C917268A0, 16 bytes long.
Data: < lr < > 18 6C 72 91 3C 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000023C9171EEF0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{271} normal block at 0x0000023C917264E0, 16 bytes long.
Data: < kr < > F0 6B 72 91 3C 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000023C9171E7D0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{269} normal block at 0x0000023C91726850, 16 bytes long.
Data: <8kr < > 38 6B 72 91 3C 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000023C91726530, 16 bytes long.
Data: < kr < > 10 6B 72 91 3C 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000023C91726620, 16 bytes long.
Data: < jr < > E8 6A 72 91 3C 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000023C91725FE0, 16 bytes long.
Data: < jr < > C0 6A 72 91 3C 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000023C917265D0, 16 bytes long.
Data: < jr < > 98 6A 72 91 3C 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000023C91726760, 16 bytes long.
Data: <pjr < > 70 6A 72 91 3C 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000023C91725F90, 16 bytes long.
Data: < Qr < > 00 51 72 91 3C 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000023C91725100, 40 bytes long.
Data: < _r < 0?q < > 90 5F 72 91 3C 02 00 00 30 3F 71 91 3C 02 00 00
{260} normal block at 0x0000023C91725EF0, 16 bytes long.
Data: <Pjr < > 50 6A 72 91 3C 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x0000023C91725F40, 16 bytes long.
Data: <(jr < > 28 6A 72 91 3C 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x0000023C9171F610, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{257} normal block at 0x0000023C91726710, 16 bytes long.
Data: < jr < > 00 6A 72 91 3C 02 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x0000023C91726A00, 992 bytes long.
Data: < gr < q < > 10 67 72 91 3C 02 00 00 10 F6 71 91 3C 02 00 00
{92} normal block at 0x0000023C9171F490, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{91} normal block at 0x0000023C9171CD80, 16 bytes long.
Data: < >q < > C0 3E 71 91 3C 02 00 00 00 00 00 00 00 00 00 00
{90} normal block at 0x0000023C91713EC0, 40 bytes long.
Data: < q < q < > 80 CD 71 91 3C 02 00 00 90 F4 71 91 3C 02 00 00
{69} normal block at 0x0000023C9171D230, 16 bytes long.
Data: < ) > 80 EA CC 29 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000023C9171D4B0, 16 bytes long.
Data: <@ ) > 40 E9 CC 29 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000023C9171D1E0, 16 bytes long.
Data: < W ) > F8 57 C9 29 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000023C9171D460, 16 bytes long.
Data: < W ) > D8 57 C9 29 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000023C9171D910, 16 bytes long.
Data: <P ) > 50 04 C9 29 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000023C9171D190, 16 bytes long.
Data: <0 ) > 30 04 C9 29 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000023C9171D960, 16 bytes long.
Data: < ) > E0 02 C9 29 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000023C9171D7D0, 16 bytes long.
Data: < ) > 10 04 C9 29 F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x0000023C9171D8C0, 16 bytes long.
Data: <p ) > 70 04 C9 29 F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x0000023C9171CC40, 16 bytes long.
Data: < ) > 18 C0 C7 29 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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