Task 38678663
| Name | test_776-GPUGRID_TEST_ATM_40STEP_20261023-26-40-RND7159_0 |
| Workunit | 31620473 |
| Created | 26 Oct 2026, 18:05:26 UTC |
| Sent | 26 Oct 2026, 18:05:28 UTC |
| Report deadline | 31 Oct 2026, 18:05:28 UTC |
| Received | 26 Oct 2026, 18:47:39 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 625666 |
| Run time | 40 min 28 sec |
| CPU time | 36 min 59 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 16,200.74 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 701.15 MB |
| Peak swap size | 6.88 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
13:08:01 (31864): wrapper (7.9.26016): starting
13:08:01 (31864): 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
13:08:23 (31864): Library/usr/bin/tar.exe exited; CPU time 0.093750
13:08:23 (31864): 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 'G:\BOINC\DATA\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 'G:\BOINC\DATA\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
13:46:39 (31864): C:/Windows/system32/cmd.exe exited; CPU time 2219.000000
13:46:39 (31864): called boinc_finish(0)
0 bytes in 0 Free Blocks.
346 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: 46755694 bytes.
Dumping objects ->
{3835291} normal block at 0x0000020AED9815D0, 48 bytes long.
Data: <PATH=G:\BOINC\DA> 50 41 54 48 3D 47 3A 5C 42 4F 49 4E 43 5C 44 41
{3835280} normal block at 0x0000020AEDB15B90, 32 bytes long.
Data: <HOME=G:\BOINC\DA> 48 4F 4D 45 3D 47 3A 5C 42 4F 49 4E 43 5C 44 41
{3835269} normal block at 0x0000020AEDB15710, 32 bytes long.
Data: <TMP=G:\BOINC\DAT> 54 4D 50 3D 47 3A 5C 42 4F 49 4E 43 5C 44 41 54
{3835258} normal block at 0x0000020AEDB15DD0, 32 bytes long.
Data: <TEMP=G:\BOINC\DA> 54 45 4D 50 3D 47 3A 5C 42 4F 49 4E 43 5C 44 41
{3835247} normal block at 0x0000020AEDB14DB0, 32 bytes long.
Data: <TMPDIR=G:\BOINC\> 54 4D 50 44 49 52 3D 47 3A 5C 42 4F 49 4E 43 5C
{3835216} normal block at 0x0000020AED980AE0, 48 bytes long.
Data: <PATH=G:\BOINC\DA> 50 41 54 48 3D 47 3A 5C 42 4F 49 4E 43 5C 44 41
{3835205} normal block at 0x0000020AEDB663C0, 85 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) : {3835202} normal block at 0x0000020AEBF87090, 8 bytes long.
Data: < í > 00 00 99 ED 0A 02 00 00
{3834574} normal block at 0x0000020AEDB66280, 85 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833965} normal block at 0x0000020AEBF87310, 8 bytes long.
Data: < ¨þë > 10 A8 FE EB 0A 02 00 00
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x0000020AEBF90AD0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x0000020AEBF760D0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{298} normal block at 0x0000020AEBF921F0, 16 bytes long.
Data: <Ø?ùë > D8 3F F9 EB 0A 02 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x0000020AEBF92290, 16 bytes long.
Data: <°?ùë > B0 3F F9 EB 0A 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x0000020AEBF8C600, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{295} normal block at 0x0000020AEBF921A0, 16 bytes long.
Data: < ?ùë > 88 3F F9 EB 0A 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000020AEBF92150, 16 bytes long.
Data: <`?ùë > 60 3F F9 EB 0A 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000020AEBF91F20, 16 bytes long.
Data: <8?ùë > 38 3F F9 EB 0A 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000020AEBF91ED0, 16 bytes long.
Data: < ?ùë > 10 3F F9 EB 0A 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000020AEBF8DC80, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{290} normal block at 0x0000020AEBF92100, 16 bytes long.
Data: <h`֑ > 68 60 F7 EB 0A 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000020AEBF8BE20, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{288} normal block at 0x0000020AEBF91E80, 16 bytes long.
Data: <@`֑ > 40 60 F7 EB 0A 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000020AEBF925B0, 16 bytes long.
Data: < `֑ > 18 60 F7 EB 0A 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000020AEBF91CF0, 16 bytes long.
Data: <ð_÷ë > F0 5F F7 EB 0A 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000020AEBF920B0, 16 bytes long.
Data: <È_÷ë > C8 5F F7 EB 0A 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000020AEBF92830, 16 bytes long.
Data: < _÷ë > A0 5F F7 EB 0A 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000020AEBF91C00, 16 bytes long.
Data: <x_֑ > 78 5F F7 EB 0A 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000020AEBF8C300, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{280} normal block at 0x0000020AEBF92060, 16 bytes long.
Data: <P_֑ > 50 5F F7 EB 0A 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000020AEBF75F50, 320 bytes long.
Data: <` ùë Ãøë > 60 20 F9 EB 0A 02 00 00 00 C3 F8 EB 0A 02 00 00
{278} normal block at 0x0000020AEBF91C50, 16 bytes long.
Data: <ð>ùë > F0 3E F9 EB 0A 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000020AEBF91D40, 16 bytes long.
Data: <È>ùë > C8 3E F9 EB 0A 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000020AEBF8C240, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{275} normal block at 0x0000020AEBF92790, 16 bytes long.
Data: < >ùë > A0 3E F9 EB 0A 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000020AEBF8BFA0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{273} normal block at 0x0000020AEBF91E30, 16 bytes long.
Data: <è=ùë > E8 3D F9 EB 0A 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000020AEBF92330, 16 bytes long.
Data: <À=ùë > C0 3D F9 EB 0A 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000020AEBF92650, 16 bytes long.
Data: < =ùë > 98 3D F9 EB 0A 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000020AEBF92510, 16 bytes long.
Data: <p=ùë > 70 3D F9 EB 0A 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000020AEBF91DE0, 16 bytes long.
Data: <H=ùë > 48 3D F9 EB 0A 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000020AEBF91BB0, 16 bytes long.
Data: < =ùë > 20 3D F9 EB 0A 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000020AEBF924C0, 16 bytes long.
Data: < Øøë > 20 D8 F8 EB 0A 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000020AEBF8D820, 40 bytes long.
Data: <À$ùë à í > C0 24 F9 EB 0A 02 00 00 E0 0A 98 ED 0A 02 00 00
{264} normal block at 0x0000020AEBF92010, 16 bytes long.
Data: < =ùë > 00 3D F9 EB 0A 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000020AEBF91B60, 16 bytes long.
Data: <Ø<ùë > D8 3C F9 EB 0A 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000020AEBF8C1E0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{261} normal block at 0x0000020AEBF91D90, 16 bytes long.
Data: <°<ùë > B0 3C F9 EB 0A 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000020AEBF93CB0, 992 bytes long.
Data: < ùë àÁøë > 90 1D F9 EB 0A 02 00 00 E0 C1 F8 EB 0A 02 00 00
{96} normal block at 0x0000020AEBF8C5A0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{95} normal block at 0x0000020AEBF872C0, 16 bytes long.
Data: <ðÜøë > F0 DC F8 EB 0A 02 00 00 00 00 00 00 00 00 00 00
{94} normal block at 0x0000020AEBF8DCF0, 40 bytes long.
Data: <Àrøë  Åøë > C0 72 F8 EB 0A 02 00 00 A0 C5 F8 EB 0A 02 00 00
{73} normal block at 0x0000020AEBF873B0, 16 bytes long.
Data: < êÒ–ö > 80 EA D2 96 F6 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x0000020AEBF87590, 16 bytes long.
Data: <@éÒ–ö > 40 E9 D2 96 F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x0000020AEBF86FA0, 16 bytes long.
Data: <øWÏ–ö > F8 57 CF 96 F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x0000020AEBF87810, 16 bytes long.
Data: <ØWÏ–ö > D8 57 CF 96 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000020AEBF878B0, 16 bytes long.
Data: <P Ï–ö > 50 04 CF 96 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000020AEBF86EB0, 16 bytes long.
Data: <0 Ï–ö > 30 04 CF 96 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000020AEBF86CD0, 16 bytes long.
Data: <à Ï–ö > E0 02 CF 96 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000020AEBF86E60, 16 bytes long.
Data: < Ï–ö > 10 04 CF 96 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000020AEBF86E10, 16 bytes long.
Data: <p Ï–ö > 70 04 CF 96 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000020AEBF876D0, 16 bytes long.
Data: < ÀÍ–ö > 18 C0 CD 96 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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