Task 38677059
| Name | test_183-GPUGRID_TEST_ATM_40STEP_20261023-23-40-RND5057_0 |
| Workunit | 31618944 |
| Created | 26 Oct 2026, 13:09:47 UTC |
| Sent | 26 Oct 2026, 13:09:53 UTC |
| Report deadline | 31 Oct 2026, 13:09:53 UTC |
| Received | 26 Oct 2026, 14:14:01 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 620057 |
| Run time | 47 min 1 sec |
| CPU time | 39 min 54 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 5,156.89 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 697.69 MB |
| Peak swap size | 5.22 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
15:27:39 (2096): wrapper (7.9.26016): starting
15:27:39 (2096): 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
15:27:41 (2096): Library/usr/bin/tar.exe exited; CPU time 0.000000
15:27:41 (2096): 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
16:13:27 (2096): C:/Windows/system32/cmd.exe exited; CPU time 2394.109375
16:13:27 (2096): 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: 40870777 bytes.
Dumping objects ->
{3835181} normal block at 0x0000023B6BA63CA0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835170} normal block at 0x0000023B6BA63BC0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835159} normal block at 0x0000023B6BA63920, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835148} normal block at 0x0000023B6BA64020, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835137} normal block at 0x0000023B6BA63E60, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835106} normal block at 0x0000023B6D54D310, 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) : {3835093} normal block at 0x0000023B6BA5AB90, 8 bytes long.
Data: < 8m; > 00 00 38 6D 3B 02 00 00
{3833945} normal block at 0x0000023B6BA5A460, 8 bytes long.
Data: < Lfm; > A0 4C 66 6D 3B 02 00 00
..\zip\boinc_zip.cpp(122) : {304} normal block at 0x0000023B6BA4E610, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000023B6BA4E4E0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{288} normal block at 0x0000023B6BA64180, 16 bytes long.
Data: < T¦k; > 18 54 A6 6B 3B 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000023B6BA64CC0, 16 bytes long.
Data: <ðS¦k; > F0 53 A6 6B 3B 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000023B6BA5D6A0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{285} normal block at 0x0000023B6BA648B0, 16 bytes long.
Data: <ÈS¦k; > C8 53 A6 6B 3B 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000023B6BA64860, 16 bytes long.
Data: < S¦k; > A0 53 A6 6B 3B 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000023B6BA64680, 16 bytes long.
Data: <xS¦k; > 78 53 A6 6B 3B 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000023B6BA64C20, 16 bytes long.
Data: <PS¦k; > 50 53 A6 6B 3B 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000023B6BA63DF0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{280} normal block at 0x0000023B6BA64630, 16 bytes long.
Data: <¸Ó¤k; > B8 D3 A4 6B 3B 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000023B6BA5DA60, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{278} normal block at 0x0000023B6BA649A0, 16 bytes long.
Data: < Ó¤k; > 90 D3 A4 6B 3B 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000023B6BA649F0, 16 bytes long.
Data: <hÓ¤k; > 68 D3 A4 6B 3B 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000023B6BA64FE0, 16 bytes long.
Data: <@Ó¤k; > 40 D3 A4 6B 3B 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000023B6BA642C0, 16 bytes long.
Data: < Ó¤k; > 18 D3 A4 6B 3B 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000023B6BA647C0, 16 bytes long.
Data: <ðÒ¤k; > F0 D2 A4 6B 3B 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000023B6BA64D60, 16 bytes long.
Data: <ÈÒ¤k; > C8 D2 A4 6B 3B 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000023B6BA5D8E0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{270} normal block at 0x0000023B6BA644F0, 16 bytes long.
Data: < Ò¤k; > A0 D2 A4 6B 3B 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000023B6BA4D2A0, 320 bytes long.
Data: <ðD¦k; àØ¥k; > F0 44 A6 6B 3B 02 00 00 E0 D8 A5 6B 3B 02 00 00
{268} normal block at 0x0000023B6BA64770, 16 bytes long.
Data: <0S¦k; > 30 53 A6 6B 3B 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000023B6BA64810, 16 bytes long.
Data: < S¦k; > 08 53 A6 6B 3B 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000023B6BA5DE80, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{265} normal block at 0x0000023B6BA64B80, 16 bytes long.
Data: <àR¦k; > E0 52 A6 6B 3B 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000023B6BA5DEE0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{263} normal block at 0x0000023B6BA64D10, 16 bytes long.
Data: <(R¦k; > 28 52 A6 6B 3B 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000023B6BA64360, 16 bytes long.
Data: < R¦k; > 00 52 A6 6B 3B 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000023B6BA64E00, 16 bytes long.
Data: <ØQ¦k; > D8 51 A6 6B 3B 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000023B6BA64DB0, 16 bytes long.
Data: <°Q¦k; > B0 51 A6 6B 3B 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x0000023B6BA64C70, 16 bytes long.
Data: < Q¦k; > 88 51 A6 6B 3B 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x0000023B6BA645E0, 16 bytes long.
Data: <`Q¦k; > 60 51 A6 6B 3B 02 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x0000023B6BA64220, 16 bytes long.
Data: <0<¦k; > 30 3C A6 6B 3B 02 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x0000023B6BA63C30, 40 bytes long.
Data: < B¦k; ÓTm; > 20 42 A6 6B 3B 02 00 00 10 D3 54 6D 3B 02 00 00
{254} normal block at 0x0000023B6BA64130, 16 bytes long.
Data: <@Q¦k; > 40 51 A6 6B 3B 02 00 00 00 00 00 00 00 00 00 00
{253} normal block at 0x0000023B6BA64F40, 16 bytes long.
Data: < Q¦k; > 18 51 A6 6B 3B 02 00 00 00 00 00 00 00 00 00 00
{252} normal block at 0x0000023B6BA5DA00, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{251} normal block at 0x0000023B6BA64590, 16 bytes long.
Data: <ðP¦k; > F0 50 A6 6B 3B 02 00 00 00 00 00 00 00 00 00 00
{250} normal block at 0x0000023B6BA650F0, 992 bytes long.
Data: < E¦k; Ú¥k; > 90 45 A6 6B 3B 02 00 00 00 DA A5 6B 3B 02 00 00
{86} normal block at 0x0000023B6BA5D640, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{85} normal block at 0x0000023B6BA5ACD0, 16 bytes long.
Data: <àã¤k; > E0 E3 A4 6B 3B 02 00 00 00 00 00 00 00 00 00 00
{84} normal block at 0x0000023B6BA4E3E0, 40 bytes long.
Data: <Ь¥k; @Ö¥k; > D0 AC A5 6B 3B 02 00 00 40 D6 A5 6B 3B 02 00 00
{63} normal block at 0x0000023B6BA5AE10, 16 bytes long.
Data: < ê á÷ > 80 EA 99 E1 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000023B6BA5AC30, 16 bytes long.
Data: <@é á÷ > 40 E9 99 E1 F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x0000023B6BA5A1E0, 16 bytes long.
Data: <øW–á÷ > F8 57 96 E1 F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x0000023B6BA5AE60, 16 bytes long.
Data: <ØW–á÷ > D8 57 96 E1 F7 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x0000023B6BA5A4B0, 16 bytes long.
Data: <P –á÷ > 50 04 96 E1 F7 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x0000023B6BA5A3C0, 16 bytes long.
Data: <0 –á÷ > 30 04 96 E1 F7 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x0000023B6BA5A370, 16 bytes long.
Data: <à –á÷ > E0 02 96 E1 F7 7F 00 00 00 00 00 00 00 00 00 00
{56} normal block at 0x0000023B6BA5A640, 16 bytes long.
Data: < –á÷ > 10 04 96 E1 F7 7F 00 00 00 00 00 00 00 00 00 00
{55} normal block at 0x0000023B6BA5AB40, 16 bytes long.
Data: <p –á÷ > 70 04 96 E1 F7 7F 00 00 00 00 00 00 00 00 00 00
{54} normal block at 0x0000023B6BA5A190, 16 bytes long.
Data: < À”á÷ > 18 C0 94 E1 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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