Task 38654354
| Name | test_405-GPUGRID_TEST_ATM_40STEP_20261023-3-40-RND1637_0 |
| Workunit | 31598181 |
| Created | 24 Oct 2026, 7:09:23 UTC |
| Sent | 24 Oct 2026, 7:10:08 UTC |
| Report deadline | 29 Oct 2026, 7:10:08 UTC |
| Received | 24 Oct 2026, 21:11:57 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 654777 |
| Run time | 28 min 31 sec |
| CPU time | 27 min 25 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 56,774.19 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 753.58 MB |
| Peak swap size | 13.05 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
17:20:35 (16620): wrapper (7.9.26016): starting
17:20:35 (16620): 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
17:20:36 (16620): Library/usr/bin/tar.exe exited; CPU time 0.000000
17:20:36 (16620): 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
17:47:48 (16620): C:/Windows/system32/cmd.exe exited; CPU time 1645.296875
17:47:48 (16620): called boinc_finish(0)
0 bytes in 0 Free Blocks.
538 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: 25529271 bytes.
Dumping objects ->
{3835236} normal block at 0x000002537779D570, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835225} normal block at 0x000002537779DA40, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835214} normal block at 0x000002537779DB20, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835203} normal block at 0x0000025375A54DB0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835192} normal block at 0x0000025375A54A30, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835161} normal block at 0x00000253777E4F80, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835150} normal block at 0x0000025375AABD20, 141 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) : {3835147} normal block at 0x0000025375A4F460, 8 bytes long.
Data: < ¢uS > 00 00 A2 75 53 02 00 00
{3834546} normal block at 0x0000025375AABF90, 141 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833961} normal block at 0x0000025375A4EB50, 8 bytes long.
Data: < I„wS > 90 49 84 77 53 02 00 00
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x0000025375A510C0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x0000025375A469B0, 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 0x0000025375A556F0, 16 bytes long.
Data: < f¥uS > 18 66 A5 75 53 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000025375A55650, 16 bytes long.
Data: <ðe¥uS > F0 65 A5 75 53 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000025375A4FD30, 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 0x0000025375A55F60, 16 bytes long.
Data: <Èe¥uS > C8 65 A5 75 53 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000025375A56140, 16 bytes long.
Data: < e¥uS > A0 65 A5 75 53 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000025375A559C0, 16 bytes long.
Data: <xe¥uS > 78 65 A5 75 53 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000025375A55600, 16 bytes long.
Data: <Pe¥uS > 50 65 A5 75 53 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000025375A54CD0, 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 0x0000025375A55970, 16 bytes long.
Data: <øµ£uS > F8 B5 A3 75 53 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000025375A50630, 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 0x0000025375A55AB0, 16 bytes long.
Data: <е£uS > D0 B5 A3 75 53 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000025375A557E0, 16 bytes long.
Data: <¨µ£uS > A8 B5 A3 75 53 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000025375A55DD0, 16 bytes long.
Data: < µ£uS > 80 B5 A3 75 53 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000025375A555B0, 16 bytes long.
Data: <Xµ£uS > 58 B5 A3 75 53 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000025375A55C90, 16 bytes long.
Data: <0µ£uS > 30 B5 A3 75 53 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000025375A55C40, 16 bytes long.
Data: < µ£uS > 08 B5 A3 75 53 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000025375A506F0, 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 0x0000025375A55E20, 16 bytes long.
Data: <à´£uS > E0 B4 A3 75 53 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000025375A3B4E0, 320 bytes long.
Data: < ^¥uS ð ¥uS > 20 5E A5 75 53 02 00 00 F0 06 A5 75 53 02 00 00
{276} normal block at 0x0000025375A56280, 16 bytes long.
Data: <0e¥uS > 30 65 A5 75 53 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000025375A560A0, 16 bytes long.
Data: < e¥uS > 08 65 A5 75 53 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000025375A50030, 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 0x0000025375A56000, 16 bytes long.
Data: <àd¥uS > E0 64 A5 75 53 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000025375A50150, 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 0x0000025375A55880, 16 bytes long.
Data: <(d¥uS > 28 64 A5 75 53 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000025375A558D0, 16 bytes long.
Data: < d¥uS > 00 64 A5 75 53 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000025375A56190, 16 bytes long.
Data: <Øc¥uS > D8 63 A5 75 53 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000025375A56230, 16 bytes long.
Data: <°c¥uS > B0 63 A5 75 53 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000025375A55920, 16 bytes long.
Data: < c¥uS > 88 63 A5 75 53 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000025375A55A60, 16 bytes long.
Data: <`c¥uS > 60 63 A5 75 53 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000025375A55790, 16 bytes long.
Data: < N¥uS > 20 4E A5 75 53 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000025375A54E20, 40 bytes long.
Data: < W¥uS O~wS > 90 57 A5 75 53 02 00 00 80 4F 7E 77 53 02 00 00
{262} normal block at 0x0000025375A55BF0, 16 bytes long.
Data: <@c¥uS > 40 63 A5 75 53 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000025375A55560, 16 bytes long.
Data: < c¥uS > 18 63 A5 75 53 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000025375A4FEB0, 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 0x0000025375A55830, 16 bytes long.
Data: <ðb¥uS > F0 62 A5 75 53 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x0000025375A562F0, 992 bytes long.
Data: <0X¥uS °þ¤uS > 30 58 A5 75 53 02 00 00 B0 FE A4 75 53 02 00 00
{94} normal block at 0x0000025375A4FB50, 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 0x0000025375A4EE70, 16 bytes long.
Data: < G¥uS > 90 47 A5 75 53 02 00 00 00 00 00 00 00 00 00 00
{92} normal block at 0x0000025375A54790, 40 bytes long.
Data: <pî¤uS Pû¤uS > 70 EE A4 75 53 02 00 00 50 FB A4 75 53 02 00 00
{71} normal block at 0x0000025375A4E920, 16 bytes long.
Data: < ê× ö > 80 EA D7 0B F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x0000025375A4E830, 16 bytes long.
Data: <@é× ö > 40 E9 D7 0B F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000025375A4E7E0, 16 bytes long.
Data: <øWÔ ö > F8 57 D4 0B F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000025375A4EB00, 16 bytes long.
Data: <ØWÔ ö > D8 57 D4 0B F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000025375A4F140, 16 bytes long.
Data: <P Ô ö > 50 04 D4 0B F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000025375A4F5A0, 16 bytes long.
Data: <0 Ô ö > 30 04 D4 0B F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000025375A4EE20, 16 bytes long.
Data: <à Ô ö > E0 02 D4 0B F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000025375A4ECE0, 16 bytes long.
Data: < Ô ö > 10 04 D4 0B F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000025375A4F230, 16 bytes long.
Data: <p Ô ö > 70 04 D4 0B F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000025375A4EF60, 16 bytes long.
Data: < ÀÒ ö > 18 C0 D2 0B F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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