Task 38683508
| Name | test_987-GPUGRID_TEST_ATM_40STEP_20261023-39-40-RND3826_0 |
| Workunit | 31625062 |
| Created | 27 Oct 2026, 12:04:56 UTC |
| Sent | 27 Oct 2026, 12:05:02 UTC |
| Report deadline | 1 Nov 2026, 12:05:02 UTC |
| Received | 27 Oct 2026, 12:57:33 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 631621 |
| Run time | 21 min 35 sec |
| CPU time | 21 min 32 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 35,915.31 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 734.69 MB |
| Peak swap size | 11.47 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
07:34:50 (6048): wrapper (7.9.26016): starting
07:34:51 (6048): 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
07:34:52 (6048): Library/usr/bin/tar.exe exited; CPU time 0.000000
07:34:52 (6048): 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\14\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\14\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
07:56:54 (6048): C:/Windows/system32/cmd.exe exited; CPU time 1292.000000
07:56:54 (6048): 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: 25861079 bytes.
Dumping objects ->
{3835207} normal block at 0x000001EAB76093A0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835196} normal block at 0x000001EAB7609A30, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835185} normal block at 0x000001EAB7609F00, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835174} normal block at 0x000001EAB7609640, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835163} normal block at 0x000001EAB7609AA0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835132} normal block at 0x000001EAB930A660, 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) : {3835119} normal block at 0x000001EAB75DC230, 8 bytes long.
Data: < ›·ê > 00 00 9B B7 EA 01 00 00
{3833961} normal block at 0x000001EAB75DC5A0, 8 bytes long.
Data: <pã&¹ê > 70 E3 26 B9 EA 01 00 00
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x000001EAB75D5860, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000001EAB75DD350, 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 0x000001EAB75E37A0, 16 bytes long.
Data: < ?^·ê > 88 3F 5E B7 EA 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001EAB75E32A0, 16 bytes long.
Data: <`?^·ê > 60 3F 5E B7 EA 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001EAB75DE000, 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 0x000001EAB75E3570, 16 bytes long.
Data: <8?^·ê > 38 3F 5E B7 EA 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001EAB75E2E90, 16 bytes long.
Data: < ?^·ê > 10 3F 5E B7 EA 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001EAB75E28F0, 16 bytes long.
Data: <è>^·ê > E8 3E 5E B7 EA 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001EAB75E3200, 16 bytes long.
Data: <À>^·ê > C0 3E 5E B7 EA 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001EAB75E1670, 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 0x000001EAB75E34D0, 16 bytes long.
Data: < ¸\·ê > 08 B8 5C B7 EA 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001EAB75DE4E0, 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 0x000001EAB75E33E0, 16 bytes long.
Data: <à·\·ê > E0 B7 5C B7 EA 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001EAB75E2C10, 16 bytes long.
Data: <¸·\·ê > B8 B7 5C B7 EA 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001EAB75E28A0, 16 bytes long.
Data: < ·\·ê > 90 B7 5C B7 EA 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001EAB75E2FD0, 16 bytes long.
Data: <h·\·ê > 68 B7 5C B7 EA 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001EAB75E2A30, 16 bytes long.
Data: <@·\·ê > 40 B7 5C B7 EA 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001EAB75E3340, 16 bytes long.
Data: < ·\·ê > 18 B7 5C B7 EA 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001EAB75DE180, 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 0x000001EAB75E30C0, 16 bytes long.
Data: <ð¶\·ê > F0 B6 5C B7 EA 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001EAB75CB6F0, 320 bytes long.
Data: <À0^·ê á]·ê > C0 30 5E B7 EA 01 00 00 80 E1 5D B7 EA 01 00 00
{276} normal block at 0x000001EAB75E29E0, 16 bytes long.
Data: < >^·ê > A0 3E 5E B7 EA 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001EAB75E2C60, 16 bytes long.
Data: <x>^·ê > 78 3E 5E B7 EA 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001EAB75DE240, 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 0x000001EAB75E3070, 16 bytes long.
Data: <P>^·ê > 50 3E 5E B7 EA 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001EAB75DE9C0, 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 0x000001EAB75E31B0, 16 bytes long.
Data: < =^·ê > 98 3D 5E B7 EA 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001EAB75E2DF0, 16 bytes long.
Data: <p=^·ê > 70 3D 5E B7 EA 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001EAB75E3250, 16 bytes long.
Data: <H=^·ê > 48 3D 5E B7 EA 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001EAB75E3160, 16 bytes long.
Data: < =^·ê > 20 3D 5E B7 EA 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001EAB75E2DA0, 16 bytes long.
Data: <ø<^·ê > F8 3C 5E B7 EA 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001EAB75E2E40, 16 bytes long.
Data: <Ð<^·ê > D0 3C 5E B7 EA 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001EAB75E3110, 16 bytes long.
Data: <` ^·ê > 60 13 5E B7 EA 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001EAB75E1360, 40 bytes long.
Data: < 1^·ê `¦0¹ê > 10 31 5E B7 EA 01 00 00 60 A6 30 B9 EA 01 00 00
{262} normal block at 0x000001EAB75E3660, 16 bytes long.
Data: <°<^·ê > B0 3C 5E B7 EA 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001EAB75E2AD0, 16 bytes long.
Data: < <^·ê > 88 3C 5E B7 EA 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001EAB75DE780, 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 0x000001EAB75E2D50, 16 bytes long.
Data: <`<^·ê > 60 3C 5E B7 EA 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001EAB75E3C60, 992 bytes long.
Data: <P-^·ê ç]·ê > 50 2D 5E B7 EA 01 00 00 80 E7 5D B7 EA 01 00 00
{94} normal block at 0x000001EAB75DE7E0, 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 0x000001EAB75DCE10, 16 bytes long.
Data: <0 ^·ê > 30 11 5E B7 EA 01 00 00 00 00 00 00 00 00 00 00
{92} normal block at 0x000001EAB75E1130, 40 bytes long.
Data: < Î]·ê àç]·ê > 10 CE 5D B7 EA 01 00 00 E0 E7 5D B7 EA 01 00 00
{71} normal block at 0x000001EAB75DC910, 16 bytes long.
Data: < êL ö > 80 EA 4C 04 F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000001EAB75DC500, 16 bytes long.
Data: <@éL ö > 40 E9 4C 04 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001EAB75DC780, 16 bytes long.
Data: <øWI ö > F8 57 49 04 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001EAB75DC4B0, 16 bytes long.
Data: <ØWI ö > D8 57 49 04 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001EAB75DBF60, 16 bytes long.
Data: <P I ö > 50 04 49 04 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001EAB75DC190, 16 bytes long.
Data: <0 I ö > 30 04 49 04 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001EAB75DBF10, 16 bytes long.
Data: <à I ö > E0 02 49 04 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001EAB75DC820, 16 bytes long.
Data: < I ö > 10 04 49 04 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001EAB75DC370, 16 bytes long.
Data: <p I ö > 70 04 49 04 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001EAB75DC140, 16 bytes long.
Data: < ÀG ö > 18 C0 47 04 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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