Task 38685418
| Name | test_890-GPUGRID_TEST_ATM_40STEP_20261023-27-40-RND1008_0 |
| Workunit | 31626884 |
| Created | 27 Oct 2026, 20:56:32 UTC |
| Sent | 27 Oct 2026, 20:56:37 UTC |
| Report deadline | 1 Nov 2026, 20:56:37 UTC |
| Received | 27 Oct 2026, 22:31:42 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 628087 |
| Run time | 1 hours 27 min 58 sec |
| CPU time | 1 hours 27 min 58 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 5,809.69 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 773.70 MB |
| Peak swap size | 12.94 GB |
| Peak disk usage | 3.47 GB |
Stderr output
<core_client_version>7.16.20</core_client_version>
<![CDATA[
<stderr_txt>
04:59:31 (10652): wrapper (7.9.26016): starting
04:59:31 (10652): 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
04:59:33 (10652): Library/usr/bin/tar.exe exited; CPU time 0.000000
04:59:33 (10652): 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 'D:\BOINCPROJECT\slots\13\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 'D:\BOINCPROJECT\slots\13\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
06:28:45 (10652): C:/Windows/system32/cmd.exe exited; CPU time 5278.718750
06:28:45 (10652): called boinc_finish(0)
0 bytes in 0 Free Blocks.
176 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: 173102313 bytes.
Dumping objects ->
{3835668} normal block at 0x00000239ADE9BDC0, 48 bytes long.
Data: <PATH=D:\BOINCPRO> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 50 52 4F
{3835657} normal block at 0x00000239B00534B0, 32 bytes long.
Data: <HOME=D:\BOINCPRO> 48 4F 4D 45 3D 44 3A 5C 42 4F 49 4E 43 50 52 4F
{3835646} normal block at 0x00000239B0052C10, 32 bytes long.
Data: <TMP=D:\BOINCPROJ> 54 4D 50 3D 44 3A 5C 42 4F 49 4E 43 50 52 4F 4A
{3835635} normal block at 0x00000239B0053330, 32 bytes long.
Data: <TEMP=D:\BOINCPRO> 54 45 4D 50 3D 44 3A 5C 42 4F 49 4E 43 50 52 4F
{3835624} normal block at 0x00000239B0053930, 32 bytes long.
Data: <TMPDIR=D:\BOINCP> 54 4D 50 44 49 52 3D 44 3A 5C 42 4F 49 4E 43 50
{3835593} normal block at 0x00000239ADE9BA40, 48 bytes long.
Data: <PATH=D:\BOINCPRO> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 50 52 4F
..\api\boinc_api.cpp(309) : {3835580} normal block at 0x00000239ADE71C90, 8 bytes long.
Data: < 9 > 00 00 E3 AD 39 02 00 00
{3834085} normal block at 0x00000239ADE72AF0, 8 bytes long.
Data: < M 9 > A0 4D 06 B0 39 02 00 00
..\zip\boinc_zip.cpp(122) : {319} normal block at 0x00000239ADE704C0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{304} normal block at 0x00000239ADE67710, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{303} normal block at 0x00000239ADE776A0, 16 bytes long.
Data: < u 9 > 08 75 E7 AD 39 02 00 00 00 00 00 00 00 00 00 00
{302} normal block at 0x00000239ADE78230, 16 bytes long.
Data: < t 9 > E0 74 E7 AD 39 02 00 00 00 00 00 00 00 00 00 00
{301} normal block at 0x00000239ADE6E750, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{300} normal block at 0x00000239ADE77740, 16 bytes long.
Data: < t 9 > B8 74 E7 AD 39 02 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x00000239ADE77C90, 16 bytes long.
Data: < t 9 > 90 74 E7 AD 39 02 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x00000239ADE783C0, 16 bytes long.
Data: <ht 9 > 68 74 E7 AD 39 02 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x00000239ADE77B50, 16 bytes long.
Data: <@t 9 > 40 74 E7 AD 39 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x00000239ADE75730, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{295} normal block at 0x00000239ADE77F60, 16 bytes long.
Data: < 9 > B8 C3 E5 AD 39 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x00000239ADE6EAB0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{293} normal block at 0x00000239ADE77F10, 16 bytes long.
Data: < 9 > 90 C3 E5 AD 39 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x00000239ADE781E0, 16 bytes long.
Data: <h 9 > 68 C3 E5 AD 39 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x00000239ADE77E70, 16 bytes long.
Data: <@ 9 > 40 C3 E5 AD 39 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x00000239ADE77BF0, 16 bytes long.
Data: < 9 > 18 C3 E5 AD 39 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x00000239ADE78410, 16 bytes long.
Data: < 9 > F0 C2 E5 AD 39 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x00000239ADE78000, 16 bytes long.
Data: < 9 > C8 C2 E5 AD 39 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x00000239ADE6E810, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{285} normal block at 0x00000239ADE77A60, 16 bytes long.
Data: < 9 > A0 C2 E5 AD 39 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x00000239ADE5C2A0, 320 bytes long.
Data: <`z 9 9 > 60 7A E7 AD 39 02 00 00 10 E8 E6 AD 39 02 00 00
{283} normal block at 0x00000239ADE77AB0, 16 bytes long.
Data: < t 9 > 20 74 E7 AD 39 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x00000239ADE785A0, 16 bytes long.
Data: < s 9 > F8 73 E7 AD 39 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x00000239ADE6E870, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{280} normal block at 0x00000239ADE78140, 16 bytes long.
Data: < s 9 > D0 73 E7 AD 39 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x00000239ADE6E6F0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{278} normal block at 0x00000239ADE77790, 16 bytes long.
Data: < s 9 > 18 73 E7 AD 39 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x00000239ADE77650, 16 bytes long.
Data: < r 9 > F0 72 E7 AD 39 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x00000239ADE77CE0, 16 bytes long.
Data: < r 9 > C8 72 E7 AD 39 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x00000239ADE784B0, 16 bytes long.
Data: < r 9 > A0 72 E7 AD 39 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x00000239ADE77920, 16 bytes long.
Data: <xr 9 > 78 72 E7 AD 39 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x00000239ADE72460, 16 bytes long.
Data: <Pr 9 > 50 72 E7 AD 39 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x00000239ADE723C0, 16 bytes long.
Data: < \ 9 > 00 5C E7 AD 39 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x00000239ADE75C00, 40 bytes long.
Data: < # 9 @ 9 > C0 23 E7 AD 39 02 00 00 40 BA E9 AD 39 02 00 00
{269} normal block at 0x00000239ADE722D0, 16 bytes long.
Data: <0r 9 > 30 72 E7 AD 39 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x00000239ADE72230, 16 bytes long.
Data: < r 9 > 08 72 E7 AD 39 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x00000239ADE6ED50, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{266} normal block at 0x00000239ADE72000, 16 bytes long.
Data: < q 9 > E0 71 E7 AD 39 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x00000239ADE771E0, 992 bytes long.
Data: < 9 P 9 > 00 20 E7 AD 39 02 00 00 50 ED E6 AD 39 02 00 00
{101} normal block at 0x00000239ADE6F3B0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{100} normal block at 0x00000239ADE71E20, 16 bytes long.
Data: < U 9 > E0 55 E7 AD 39 02 00 00 00 00 00 00 00 00 00 00
{99} normal block at 0x00000239ADE755E0, 40 bytes long.
Data: < 9 9 > 20 1E E7 AD 39 02 00 00 B0 F3 E6 AD 39 02 00 00
{76} normal block at 0x00000239ADE72050, 16 bytes long.
Data: < > 80 EA 19 FB F7 7F 00 00 00 00 00 00 00 00 00 00
{75} normal block at 0x00000239ADE72640, 16 bytes long.
Data: <@ > 40 E9 19 FB F7 7F 00 00 00 00 00 00 00 00 00 00
{74} normal block at 0x00000239ADE724B0, 16 bytes long.
Data: < W > F8 57 16 FB F7 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x00000239ADE72140, 16 bytes long.
Data: < W > D8 57 16 FB F7 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x00000239ADE71BF0, 16 bytes long.
Data: <P > 50 04 16 FB F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x00000239ADE72780, 16 bytes long.
Data: <0 > 30 04 16 FB F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x00000239ADE71BA0, 16 bytes long.
Data: < > E0 02 16 FB F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x00000239ADE71C40, 16 bytes long.
Data: < > 10 04 16 FB F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x00000239ADE72190, 16 bytes long.
Data: <p > 70 04 16 FB F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x00000239ADE728C0, 16 bytes long.
Data: < > 18 C0 14 FB F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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