Task 38687598
| Name | test_566-GPUGRID_TEST_ATM_40STEP_20261023-28-40-RND6042_0 |
| Workunit | 31628982 |
| Created | 28 Oct 2026, 8:39:52 UTC |
| Sent | 28 Oct 2026, 8:40:00 UTC |
| Report deadline | 2 Nov 2026, 8:40:00 UTC |
| Received | 28 Oct 2026, 10:19:23 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 648712 |
| Run time | 47 min 24 sec |
| CPU time | 47 min 18 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 6,710.17 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 651.32 MB |
| Peak swap size | 6.75 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.9</core_client_version>
<![CDATA[
<stderr_txt>
17:27:34 (32216): wrapper (7.9.26016): starting
17:27:34 (32216): 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
17:27:35 (32216): Library/usr/bin/tar.exe exited; CPU time 0.000000
17:27:35 (32216): 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
18:14:05 (32216): C:/Windows/system32/cmd.exe exited; CPU time 2838.546875
18:14:05 (32216): 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: 42226267 bytes.
Dumping objects ->
{3835255} normal block at 0x000002053B78CCD0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835244} normal block at 0x000002053B78D1A0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835233} normal block at 0x000002053B78C8E0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835222} normal block at 0x000002053B78CA30, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835211} normal block at 0x000002053B78CE90, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835180} normal block at 0x000002053EFC4AF0, 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) : {3835167} normal block at 0x000002053B789F80, 8 bytes long.
Data: < B= > 00 00 42 3D 05 02 00 00
{3834025} normal block at 0x000002053B78A0C0, 8 bytes long.
Data: < x; > 10 A3 78 3B 05 02 00 00
..\zip\boinc_zip.cpp(122) : {304} normal block at 0x000002053B787D40, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000002053B788C80, 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 0x000002053B789E40, 16 bytes long.
Data: < x; > 08 92 78 3B 05 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000002053B789AD0, 16 bytes long.
Data: < x; > E0 91 78 3B 05 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000002053B783060, 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 0x000002053B7894E0, 16 bytes long.
Data: < x; > B8 91 78 3B 05 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000002053B789710, 16 bytes long.
Data: < x; > 90 91 78 3B 05 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000002053B78A110, 16 bytes long.
Data: <h x; > 68 91 78 3B 05 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000002053B78A1B0, 16 bytes long.
Data: <@ x; > 40 91 78 3B 05 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000002053B781D60, 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 0x000002053B7896C0, 16 bytes long.
Data: < x; > 18 8C 78 3B 05 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000002053B783720, 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 0x000002053B7859B0, 16 bytes long.
Data: < x; > F0 8B 78 3B 05 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000002053B7855F0, 16 bytes long.
Data: < x; > C8 8B 78 3B 05 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000002053B785460, 16 bytes long.
Data: < x; > A0 8B 78 3B 05 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000002053B785410, 16 bytes long.
Data: <x x; > 78 8B 78 3B 05 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000002053B785370, 16 bytes long.
Data: <P x; > 50 8B 78 3B 05 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000002053B785230, 16 bytes long.
Data: <( x; > 28 8B 78 3B 05 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000002053B783240, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{270} normal block at 0x000002053B785960, 16 bytes long.
Data: < x; > 00 8B 78 3B 05 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000002053B788B00, 320 bytes long.
Data: <`Yx; @2x; > 60 59 78 3B 05 02 00 00 40 32 78 3B 05 02 00 00
{268} normal block at 0x000002053B785820, 16 bytes long.
Data: < x; > 20 91 78 3B 05 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000002053B7850F0, 16 bytes long.
Data: < x; > F8 90 78 3B 05 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000002053B783180, 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 0x000002053B785000, 16 bytes long.
Data: < x; > D0 90 78 3B 05 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000002053B782E20, 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 0x000002053B784BA0, 16 bytes long.
Data: < x; > 18 90 78 3B 05 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000002053B784FB0, 16 bytes long.
Data: < x; > F0 8F 78 3B 05 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000002053B784F10, 16 bytes long.
Data: < x; > C8 8F 78 3B 05 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000002053B784E70, 16 bytes long.
Data: < x; > A0 8F 78 3B 05 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000002053B784D30, 16 bytes long.
Data: <x x; > 78 8F 78 3B 05 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000002053B7857D0, 16 bytes long.
Data: <P x; > 50 8F 78 3B 05 02 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x000002053B785780, 16 bytes long.
Data: <0 x; > 30 1B 78 3B 05 02 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x000002053B781B30, 40 bytes long.
Data: < Wx; J > > 80 57 78 3B 05 02 00 00 F0 4A FC 3E 05 02 00 00
{254} normal block at 0x000002053B784C40, 16 bytes long.
Data: <0 x; > 30 8F 78 3B 05 02 00 00 00 00 00 00 00 00 00 00
{253} normal block at 0x000002053B7855A0, 16 bytes long.
Data: < x; > 08 8F 78 3B 05 02 00 00 00 00 00 00 00 00 00 00
{252} normal block at 0x000002053B782CA0, 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 0x000002053B784B50, 16 bytes long.
Data: < x; > E0 8E 78 3B 05 02 00 00 00 00 00 00 00 00 00 00
{250} normal block at 0x000002053B788EE0, 992 bytes long.
Data: <PKx; ,x; > 50 4B 78 3B 05 02 00 00 A0 2C 78 3B 05 02 00 00
{86} normal block at 0x000002053B7830C0, 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 0x000002053B7850A0, 16 bytes long.
Data: < x; > E0 20 78 3B 05 02 00 00 00 00 00 00 00 00 00 00
{84} normal block at 0x000002053B7820E0, 40 bytes long.
Data: < Px; 0x; > A0 50 78 3B 05 02 00 00 C0 30 78 3B 05 02 00 00
{61} normal block at 0x000002053B785A50, 16 bytes long.
Data: < > 80 EA D8 A7 F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000002053B785050, 16 bytes long.
Data: <@ > 40 E9 D8 A7 F6 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x000002053B785320, 16 bytes long.
Data: < W > F8 57 D5 A7 F6 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x000002053B7853C0, 16 bytes long.
Data: < W > D8 57 D5 A7 F6 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x000002053B784DD0, 16 bytes long.
Data: <P > 50 04 D5 A7 F6 7F 00 00 00 00 00 00 00 00 00 00
{56} normal block at 0x000002053B784BF0, 16 bytes long.
Data: <0 > 30 04 D5 A7 F6 7F 00 00 00 00 00 00 00 00 00 00
{55} normal block at 0x000002053B785190, 16 bytes long.
Data: < > E0 02 D5 A7 F6 7F 00 00 00 00 00 00 00 00 00 00
{54} normal block at 0x000002053B785550, 16 bytes long.
Data: < > 10 04 D5 A7 F6 7F 00 00 00 00 00 00 00 00 00 00
{53} normal block at 0x000002053B784E20, 16 bytes long.
Data: <p > 70 04 D5 A7 F6 7F 00 00 00 00 00 00 00 00 00 00
{52} normal block at 0x000002053B785280, 16 bytes long.
Data: < > 18 C0 D3 A7 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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