Task 38649594
| Name | test_119-GPUGRID_TEST_ATM_4STEP_20261023-1-4-RND1178_0 |
| Workunit | 31594206 |
| Created | 23 Oct 2026, 21:40:57 UTC |
| Sent | 23 Oct 2026, 21:49:42 UTC |
| Report deadline | 28 Oct 2026, 21:49:42 UTC |
| Received | 24 Oct 2026, 5:00:49 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 563109 |
| Run time | 1 hours 2 min 58 sec |
| CPU time | 53 min 22 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 | 667.45 MB |
| Peak swap size | 2.22 GB |
| Peak disk usage | 3.66 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
21:59:55 (6356): wrapper (7.9.26016): starting
21:59:55 (6356): 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
21:59:57 (6356): Library/usr/bin/tar.exe exited; CPU time 0.000000
21:59:57 (6356): 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\1\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\1\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
23:00:11 (6356): C:/Windows/system32/cmd.exe exited; CPU time 3202.171875
23:00:11 (6356): called boinc_finish(0)
0 bytes in 0 Free Blocks.
726 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: 40281275 bytes.
Dumping objects ->
{3835251} normal block at 0x00000241878B6510, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835240} normal block at 0x00000241878B6BA0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835229} normal block at 0x00000241878B6F90, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835218} normal block at 0x00000241878B6CF0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835207} normal block at 0x00000241878B6B30, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835176} normal block at 0x000002418785AC20, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835165} normal block at 0x0000024185C72680, 235 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) : {3835162} normal block at 0x0000024185C66D40, 8 bytes long.
Data: < s‡A > 00 00 73 87 41 02 00 00
{3834555} normal block at 0x0000024185C71BD0, 235 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833945} normal block at 0x0000024185C66430, 8 bytes long.
Data: <Ðy‹‡A > D0 79 8B 87 41 02 00 00
..\zip\boinc_zip.cpp(122) : {304} normal block at 0x0000024185C6FB40, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000024185C5A560, 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 0x0000024185C714E0, 16 bytes long.
Data: < 1Ç…A > 88 31 C7 85 41 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000024185C718F0, 16 bytes long.
Data: <`1Ç…A > 60 31 C7 85 41 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000024185C6CAF0, 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 0x0000024185C71170, 16 bytes long.
Data: <81Ç…A > 38 31 C7 85 41 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000024185C70F90, 16 bytes long.
Data: < 1Ç…A > 10 31 C7 85 41 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000024185C712B0, 16 bytes long.
Data: <è0Ç…A > E8 30 C7 85 41 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000024185C715D0, 16 bytes long.
Data: <À0Ç…A > C0 30 C7 85 41 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000024185C6AFE0, 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 0x0000024185C70BD0, 16 bytes long.
Data: <¸½Æ…A > B8 BD C6 85 41 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000024185C6C850, 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 0x0000024185C70F40, 16 bytes long.
Data: < ½Æ…A > 90 BD C6 85 41 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000024185C71440, 16 bytes long.
Data: <h½Æ…A > 68 BD C6 85 41 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000024185C718A0, 16 bytes long.
Data: <@½Æ…A > 40 BD C6 85 41 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000024185C70DB0, 16 bytes long.
Data: < ½Æ…A > 18 BD C6 85 41 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000024185C71030, 16 bytes long.
Data: <ð¼Æ…A > F0 BC C6 85 41 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000024185C71850, 16 bytes long.
Data: <ȼƅA > C8 BC C6 85 41 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000024185C6C010, 32 bytes long.
Data: <CUDA_DEVICE=1 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 31 00 50 55
{270} normal block at 0x0000024185C713F0, 16 bytes long.
Data: < ¼Æ…A > A0 BC C6 85 41 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000024185C6BCA0, 320 bytes long.
Data: <ð Ç…A ÀÆ…A > F0 13 C7 85 41 02 00 00 10 C0 C6 85 41 02 00 00
{268} normal block at 0x0000024185C70C70, 16 bytes long.
Data: < 0Ç…A > A0 30 C7 85 41 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000024185C717B0, 16 bytes long.
Data: <x0Ç…A > 78 30 C7 85 41 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000024185C6CA30, 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 0x0000024185C71080, 16 bytes long.
Data: <P0Ç…A > 50 30 C7 85 41 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000024185C6CF10, 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 0x0000024185C713A0, 16 bytes long.
Data: < /Ç…A > 98 2F C7 85 41 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000024185C70B80, 16 bytes long.
Data: <p/Ç…A > 70 2F C7 85 41 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000024185C71350, 16 bytes long.
Data: <H/Ç…A > 48 2F C7 85 41 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000024185C70EA0, 16 bytes long.
Data: < /Ç…A > 20 2F C7 85 41 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x0000024185C70EF0, 16 bytes long.
Data: <ø.Ç…A > F8 2E C7 85 41 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x0000024185C71490, 16 bytes long.
Data: <Ð.Ç…A > D0 2E C7 85 41 02 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x0000024185C71580, 16 bytes long.
Data: < ±Æ…A > A0 B1 C6 85 41 02 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x0000024185C6B1A0, 40 bytes long.
Data: < Ç…A ¬…‡A > 80 15 C7 85 41 02 00 00 20 AC 85 87 41 02 00 00
{254} normal block at 0x0000024185C70D60, 16 bytes long.
Data: <°.Ç…A > B0 2E C7 85 41 02 00 00 00 00 00 00 00 00 00 00
{253} normal block at 0x0000024185C70D10, 16 bytes long.
Data: < .Ç…A > 88 2E C7 85 41 02 00 00 00 00 00 00 00 00 00 00
{252} normal block at 0x0000024185C6C970, 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 0x0000024185C70CC0, 16 bytes long.
Data: <`.Ç…A > 60 2E C7 85 41 02 00 00 00 00 00 00 00 00 00 00
{250} normal block at 0x0000024185C72E60, 992 bytes long.
Data: <À Ç…A pÉÆ…A > C0 0C C7 85 41 02 00 00 70 C9 C6 85 41 02 00 00
{86} normal block at 0x0000024185C6C0D0, 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 0x0000024185C65F30, 16 bytes long.
Data: <`¬Æ…A > 60 AC C6 85 41 02 00 00 00 00 00 00 00 00 00 00
{84} normal block at 0x0000024185C6AC60, 40 bytes long.
Data: <0_Æ…A ÐÀÆ…A > 30 5F C6 85 41 02 00 00 D0 C0 C6 85 41 02 00 00
{63} normal block at 0x0000024185C66980, 16 bytes long.
Data: < ê0—ö > 80 EA 30 97 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000024185C66A20, 16 bytes long.
Data: <@é0—ö > 40 E9 30 97 F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x0000024185C661B0, 16 bytes long.
Data: <øW-—ö > F8 57 2D 97 F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x0000024185C66C00, 16 bytes long.
Data: <ØW-—ö > D8 57 2D 97 F6 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x0000024185C668E0, 16 bytes long.
Data: <P -—ö > 50 04 2D 97 F6 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x0000024185C66890, 16 bytes long.
Data: <0 -—ö > 30 04 2D 97 F6 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x0000024185C667F0, 16 bytes long.
Data: <à -—ö > E0 02 2D 97 F6 7F 00 00 00 00 00 00 00 00 00 00
{56} normal block at 0x0000024185C663E0, 16 bytes long.
Data: < -—ö > 10 04 2D 97 F6 7F 00 00 00 00 00 00 00 00 00 00
{55} normal block at 0x0000024185C666B0, 16 bytes long.
Data: <p -—ö > 70 04 2D 97 F6 7F 00 00 00 00 00 00 00 00 00 00
{54} normal block at 0x0000024185C66A70, 16 bytes long.
Data: < À+—ö > 18 C0 2B 97 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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