Task 38682491
| Name | test_655-GPUGRID_TEST_ATM_40STEP_20261023-11-40-RND9370_0 |
| Workunit | 31624100 |
| Created | 27 Oct 2026, 7:57:04 UTC |
| Sent | 27 Oct 2026, 7:57:06 UTC |
| Report deadline | 1 Nov 2026, 7:57:06 UTC |
| Received | 27 Oct 2026, 11:55:07 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 654840 |
| Run time | 1 hours 59 min 13 sec |
| CPU time | 1 hours 35 min 59 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 6,029.85 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 745.50 MB |
| Peak swap size | 8.40 GB |
| Peak disk usage | 4.05 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
04:59:05 (80880): wrapper (7.9.26016): starting
04:59:05 (80880): 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
04:59:06 (80880): Library/usr/bin/tar.exe exited; CPU time 0.015625
04:59:06 (80880): 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
06:54:40 (80880): C:/Windows/system32/cmd.exe exited; CPU time 5759.203125
06:54:40 (80880): 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: 256164983 bytes.
Dumping objects ->
{3835485} normal block at 0x000001DB99DA4100, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835474} normal block at 0x000001DB99DA4020, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835463} normal block at 0x000001DB99DA3ED0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835452} normal block at 0x000001DB99DA3E60, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835441} normal block at 0x000001DB99DA3DF0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835410} normal block at 0x000001DB9C0ED660, 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) : {3835397} normal block at 0x000001DB99D98F90, 8 bytes long.
Data: < Ö Û > 00 00 D6 99 DB 01 00 00
{3833949} normal block at 0x000001DB99D99940, 8 bytes long.
Data: <PÉÜ Û > 50 C9 DC 99 DB 01 00 00
..\zip\boinc_zip.cpp(122) : {306} normal block at 0x000001DB99D95180, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001DB99D9F270, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{290} normal block at 0x000001DB99DA45D0, 16 bytes long.
Data: <(WÚ Û > 28 57 DA 99 DB 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001DB99DA4580, 16 bytes long.
Data: < WÚ Û > 00 57 DA 99 DB 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001DB99D9FBC0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{287} normal block at 0x000001DB99DA5250, 16 bytes long.
Data: <ØVÚ Û > D8 56 DA 99 DB 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001DB99DA52A0, 16 bytes long.
Data: <°VÚ Û > B0 56 DA 99 DB 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001DB99DA4E90, 16 bytes long.
Data: < VÚ Û > 88 56 DA 99 DB 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001DB99DA4E40, 16 bytes long.
Data: <`VÚ Û > 60 56 DA 99 DB 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001DB99DA4090, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{282} normal block at 0x000001DB99DA5200, 16 bytes long.
Data: <xôØ Û > 78 F4 D8 99 DB 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001DB99D9FD40, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{280} normal block at 0x000001DB99DA5070, 16 bytes long.
Data: <PôØ Û > 50 F4 D8 99 DB 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001DB99DA4F80, 16 bytes long.
Data: <(ôØ Û > 28 F4 D8 99 DB 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001DB99DA4990, 16 bytes long.
Data: < ôØ Û > 00 F4 D8 99 DB 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001DB99DA4DA0, 16 bytes long.
Data: <ØóØ Û > D8 F3 D8 99 DB 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001DB99DA46C0, 16 bytes long.
Data: <°óØ Û > B0 F3 D8 99 DB 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001DB99DA51B0, 16 bytes long.
Data: < óØ Û > 88 F3 D8 99 DB 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001DB99DA0340, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{272} normal block at 0x000001DB99DA4D00, 16 bytes long.
Data: <`óØ Û > 60 F3 D8 99 DB 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001DB99D8F360, 320 bytes long.
Data: < MÚ Û @ Ú Û > 00 4D DA 99 DB 01 00 00 40 03 DA 99 DB 01 00 00
{270} normal block at 0x000001DB99DA4A30, 16 bytes long.
Data: <@VÚ Û > 40 56 DA 99 DB 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001DB99DA4530, 16 bytes long.
Data: < VÚ Û > 18 56 DA 99 DB 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001DB99DA0580, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{267} normal block at 0x000001DB99DA4DF0, 16 bytes long.
Data: <ðUÚ Û > F0 55 DA 99 DB 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001DB99D9FC20, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{265} normal block at 0x000001DB99DA5340, 16 bytes long.
Data: <8UÚ Û > 38 55 DA 99 DB 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001DB99DA4D50, 16 bytes long.
Data: < UÚ Û > 10 55 DA 99 DB 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001DB99DA50C0, 16 bytes long.
Data: <èTÚ Û > E8 54 DA 99 DB 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001DB99DA4F30, 16 bytes long.
Data: <ÀTÚ Û > C0 54 DA 99 DB 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001DB99DA5390, 16 bytes long.
Data: < TÚ Û > 98 54 DA 99 DB 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001DB99DA4CB0, 16 bytes long.
Data: <pTÚ Û > 70 54 DA 99 DB 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001DB99DA47B0, 16 bytes long.
Data: < <Ú Û > A0 3C DA 99 DB 01 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x000001DB99DA3CA0, 40 bytes long.
Data: <°GÚ Û `Ö œÛ > B0 47 DA 99 DB 01 00 00 60 D6 0E 9C DB 01 00 00
{256} normal block at 0x000001DB99DA4FD0, 16 bytes long.
Data: <PTÚ Û > 50 54 DA 99 DB 01 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x000001DB99DA4C60, 16 bytes long.
Data: <(TÚ Û > 28 54 DA 99 DB 01 00 00 00 00 00 00 00 00 00 00
{254} normal block at 0x000001DB99DA0520, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{253} normal block at 0x000001DB99DA4670, 16 bytes long.
Data: < TÚ Û > 00 54 DA 99 DB 01 00 00 00 00 00 00 00 00 00 00
{252} normal block at 0x000001DB99DA5400, 992 bytes long.
Data: <pFÚ Û Ú Û > 70 46 DA 99 DB 01 00 00 20 05 DA 99 DB 01 00 00
{88} normal block at 0x000001DB99DA0400, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{87} normal block at 0x000001DB99D998A0, 16 bytes long.
Data: < ØØ Û > 80 D8 D8 99 DB 01 00 00 00 00 00 00 00 00 00 00
{86} normal block at 0x000001DB99D8D880, 40 bytes long.
Data: <  Ù Û Ú Û > A0 98 D9 99 DB 01 00 00 00 04 DA 99 DB 01 00 00
{65} normal block at 0x000001DB99D99760, 16 bytes long.
Data: < êU ö > 80 EA 55 99 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001DB99D99530, 16 bytes long.
Data: <@éU ö > 40 E9 55 99 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001DB99D99080, 16 bytes long.
Data: <øWR ö > F8 57 52 99 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001DB99D99CB0, 16 bytes long.
Data: <ØWR ö > D8 57 52 99 F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001DB99D998F0, 16 bytes long.
Data: <P R ö > 50 04 52 99 F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000001DB99D99490, 16 bytes long.
Data: <0 R ö > 30 04 52 99 F6 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x000001DB99D98EF0, 16 bytes long.
Data: <à R ö > E0 02 52 99 F6 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x000001DB99D99800, 16 bytes long.
Data: < R ö > 10 04 52 99 F6 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x000001DB99D99B70, 16 bytes long.
Data: <p R ö > 70 04 52 99 F6 7F 00 00 00 00 00 00 00 00 00 00
{56} normal block at 0x000001DB99D99990, 16 bytes long.
Data: < ÀP ö > 18 C0 50 99 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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