Task 38699063
| Name | test_500-GPUGRID_TEST_ATM_40STEP_20261023-8-40-RND8896_0 |
| Workunit | 31639507 |
| Created | 3 Nov 2026, 12:37:26 UTC |
| Sent | 3 Nov 2026, 12:37:29 UTC |
| Report deadline | 8 Nov 2026, 12:37:29 UTC |
| Received | 3 Nov 2026, 17:56:05 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 611392 |
| Run time | 1 hours 38 min 11 sec |
| CPU time | 1 hours 28 min 46 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 6,878.75 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 674.57 MB |
| Peak swap size | 2.31 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.9</core_client_version>
<![CDATA[
<stderr_txt>
17:18:32 (7948): wrapper (7.9.26016): starting
17:18:32 (7948): 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
17:18:35 (7948): Library/usr/bin/tar.exe exited; CPU time 0.000000
17:18:35 (7948): 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
18:54:34 (7948): C:/Windows/system32/cmd.exe exited; CPU time 5326.937500
18:54:34 (7948): 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: 65117561 bytes.
Dumping objects ->
{3835193} normal block at 0x0000029CE43BBB60, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835182} normal block at 0x0000029CE43BBFC0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835171} normal block at 0x0000029CE43BB8C0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835160} normal block at 0x0000029CE296D910, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835149} normal block at 0x0000029CE296D830, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835118} normal block at 0x0000029CE4404B00, 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) : {3835105} normal block at 0x0000029CE2967810, 8 bytes long.
Data: < âœ > 00 00 8D E2 9C 02 00 00
{3833963} normal block at 0x0000029CE29677C0, 8 bytes long.
Data: <pJIäœ > 70 4A 49 E4 9C 02 00 00
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x0000029CE2971770, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x0000029CE2973FE0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{297} normal block at 0x0000029CE2973390, 16 bytes long.
Data: < >—✠> 98 3E 97 E2 9C 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x0000029CE2973340, 16 bytes long.
Data: <p>—✠> 70 3E 97 E2 9C 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000029CE296C320, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{294} normal block at 0x0000029CE29732F0, 16 bytes long.
Data: <H>—✠> 48 3E 97 E2 9C 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000029CE2972C10, 16 bytes long.
Data: < >—✠> 20 3E 97 E2 9C 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000029CE2973200, 16 bytes long.
Data: <ø=—✠> F8 3D 97 E2 9C 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000029CE2972E90, 16 bytes long.
Data: <Ð=—✠> D0 3D 97 E2 9C 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000029CE296D590, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{289} normal block at 0x0000029CE29731B0, 16 bytes long.
Data: <H&—✠> 48 26 97 E2 9C 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000029CE296C560, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{287} normal block at 0x0000029CE2972990, 16 bytes long.
Data: < &—✠> 20 26 97 E2 9C 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000029CE2972940, 16 bytes long.
Data: <ø%—✠> F8 25 97 E2 9C 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000029CE2972E40, 16 bytes long.
Data: <Ð%—✠> D0 25 97 E2 9C 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000029CE29730C0, 16 bytes long.
Data: <¨%—✠> A8 25 97 E2 9C 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000029CE2973070, 16 bytes long.
Data: < %—✠> 80 25 97 E2 9C 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000029CE2973520, 16 bytes long.
Data: <X%—✠> 58 25 97 E2 9C 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000029CE296C380, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{279} normal block at 0x0000029CE2973660, 16 bytes long.
Data: <0%—✠> 30 25 97 E2 9C 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000029CE2972530, 320 bytes long.
Data: <`6—✠Ö✠> 60 36 97 E2 9C 02 00 00 80 C3 96 E2 9C 02 00 00
{277} normal block at 0x0000029CE2972BC0, 16 bytes long.
Data: <°=—✠> B0 3D 97 E2 9C 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000029CE29732A0, 16 bytes long.
Data: < =—✠> 88 3D 97 E2 9C 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000029CE296B900, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{274} normal block at 0x0000029CE2972DA0, 16 bytes long.
Data: <`=—✠> 60 3D 97 E2 9C 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000029CE296C2C0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{272} normal block at 0x0000029CE2972B70, 16 bytes long.
Data: <¨<—✠> A8 3C 97 E2 9C 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000029CE2972D50, 16 bytes long.
Data: < <—✠> 80 3C 97 E2 9C 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000029CE2972F80, 16 bytes long.
Data: <X<—✠> 58 3C 97 E2 9C 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000029CE2972B20, 16 bytes long.
Data: <0<—✠> 30 3C 97 E2 9C 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000029CE2973250, 16 bytes long.
Data: < <—✠> 08 3C 97 E2 9C 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000029CE29734D0, 16 bytes long.
Data: <à;—✠> E0 3B 97 E2 9C 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000029CE2972800, 16 bytes long.
Data: <Àז✠> C0 D7 96 E2 9C 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000029CE296D7C0, 40 bytes long.
Data: < (—✠K@äœ > 00 28 97 E2 9C 02 00 00 00 4B 40 E4 9C 02 00 00
{263} normal block at 0x0000029CE2973160, 16 bytes long.
Data: <À;—✠> C0 3B 97 E2 9C 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000029CE2973110, 16 bytes long.
Data: < ;—✠> 98 3B 97 E2 9C 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000029CE296C140, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{260} normal block at 0x0000029CE29727B0, 16 bytes long.
Data: <p;—✠> 70 3B 97 E2 9C 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x0000029CE2973B70, 992 bytes long.
Data: <°'—✠@Á–✠> B0 27 97 E2 9C 02 00 00 40 C1 96 E2 9C 02 00 00
{95} normal block at 0x0000029CE296C0E0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{94} normal block at 0x0000029CE2967590, 16 bytes long.
Data: < Ֆ✠> 20 D5 96 E2 9C 02 00 00 00 00 00 00 00 00 00 00
{93} normal block at 0x0000029CE296D520, 40 bytes long.
Data: < u–✠àÀ–✠> 90 75 96 E2 9C 02 00 00 E0 C0 96 E2 9C 02 00 00
{72} normal block at 0x0000029CE29674A0, 16 bytes long.
Data: < êß ö > 80 EA DF 18 F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x0000029CE2967450, 16 bytes long.
Data: <@éß ö > 40 E9 DF 18 F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x0000029CE2967040, 16 bytes long.
Data: <øWÜ ö > F8 57 DC 18 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000029CE2966E60, 16 bytes long.
Data: <ØWÜ ö > D8 57 DC 18 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000029CE2967680, 16 bytes long.
Data: <P Ü ö > 50 04 DC 18 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000029CE2966AF0, 16 bytes long.
Data: <0 Ü ö > 30 04 DC 18 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000029CE2967180, 16 bytes long.
Data: <à Ü ö > E0 02 DC 18 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000029CE2966FF0, 16 bytes long.
Data: < Ü ö > 10 04 DC 18 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000029CE2966F00, 16 bytes long.
Data: <p Ü ö > 70 04 DC 18 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000029CE2966B90, 16 bytes long.
Data: < ÀÚ ö > 18 C0 DA 18 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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