Task 38679858
| Name | test_317-GPUGRID_TEST_ATM_40STEP_20261023-27-40-RND5431_0 |
| Workunit | 31621618 |
| Created | 26 Oct 2026, 22:01:33 UTC |
| Sent | 26 Oct 2026, 22:01:38 UTC |
| Report deadline | 31 Oct 2026, 22:01:38 UTC |
| Received | 27 Oct 2026, 3:14:44 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 654622 |
| Run time | 1 hours 11 min 36 sec |
| CPU time | 49 min 48 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 12,353.06 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 7.15 GB |
| Peak swap size | 6.85 GB |
| Peak disk usage | 4.19 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
09:21:49 (13624): wrapper (7.9.26016): starting
09:21:49 (13624): 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
09:21:51 (13624): Library/usr/bin/tar.exe exited; CPU time 0.015625
09:21:51 (13624): 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\16\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\16\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
10:31:27 (13624): C:/Windows/system32/cmd.exe exited; CPU time 2988.312500
10:31:27 (13624): 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: 90684225 bytes.
Dumping objects ->
{3835294} normal block at 0x00000187C35D7A20, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835283} normal block at 0x00000187C35D75C0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835272} normal block at 0x00000187C1654E10, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835261} normal block at 0x00000187C1654DA0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835250} normal block at 0x00000187C1654D30, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835219} normal block at 0x00000187C35E9C40, 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) : {3835205} normal block at 0x00000187C1650A00, 8 bytes long.
Data: < > 00 00 A3 C1 87 01 00 00
{3834057} normal block at 0x00000187C16504B0, 8 bytes long.
Data: < 4d > 90 34 64 C3 87 01 00 00
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x00000187C1651290, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x00000187C1646820, 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 0x00000187C1656150, 16 bytes long.
Data: < le > 18 6C 65 C1 87 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x00000187C16567E0, 16 bytes long.
Data: < ke > F0 6B 65 C1 87 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x00000187C164F710, 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 0x00000187C1655A70, 16 bytes long.
Data: < ke > C8 6B 65 C1 87 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x00000187C1655E80, 16 bytes long.
Data: < ke > A0 6B 65 C1 87 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x00000187C1655E30, 16 bytes long.
Data: <xke > 78 6B 65 C1 87 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x00000187C16566A0, 16 bytes long.
Data: <Pke > 50 6B 65 C1 87 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x00000187C1654FD0, 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 0x00000187C1656740, 16 bytes long.
Data: <H d > 48 93 64 C1 87 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x00000187C164F650, 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 0x00000187C1655DE0, 16 bytes long.
Data: < d > 20 93 64 C1 87 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x00000187C1655A20, 16 bytes long.
Data: < d > F8 92 64 C1 87 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x00000187C1655D90, 16 bytes long.
Data: < d > D0 92 64 C1 87 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x00000187C1655BB0, 16 bytes long.
Data: < d > A8 92 64 C1 87 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x00000187C16566F0, 16 bytes long.
Data: < d > 80 92 64 C1 87 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x00000187C1655D40, 16 bytes long.
Data: <X d > 58 92 64 C1 87 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x00000187C164F590, 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 0x00000187C16559D0, 16 bytes long.
Data: <0 d > 30 92 64 C1 87 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x00000187C1649230, 320 bytes long.
Data: < Ye d > D0 59 65 C1 87 01 00 00 90 F5 64 C1 87 01 00 00
{276} normal block at 0x00000187C1656600, 16 bytes long.
Data: <0ke > 30 6B 65 C1 87 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x00000187C1656420, 16 bytes long.
Data: < ke > 08 6B 65 C1 87 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x00000187C164F4D0, 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 0x00000187C1656790, 16 bytes long.
Data: < je > E0 6A 65 C1 87 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x00000187C164F290, 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 0x00000187C1655CA0, 16 bytes long.
Data: <(je > 28 6A 65 C1 87 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x00000187C1655CF0, 16 bytes long.
Data: < je > 00 6A 65 C1 87 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x00000187C16561F0, 16 bytes long.
Data: < ie > D8 69 65 C1 87 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x00000187C16565B0, 16 bytes long.
Data: < ie > B0 69 65 C1 87 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x00000187C1656010, 16 bytes long.
Data: < ie > 88 69 65 C1 87 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x00000187C1655AC0, 16 bytes long.
Data: <`ie > 60 69 65 C1 87 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x00000187C1656560, 16 bytes long.
Data: < Ke > E0 4B 65 C1 87 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x00000187C1654BE0, 40 bytes long.
Data: <`ee @ ^ > 60 65 65 C1 87 01 00 00 40 9C 5E C3 87 01 00 00
{262} normal block at 0x00000187C1655F20, 16 bytes long.
Data: <@ie > 40 69 65 C1 87 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x00000187C1656830, 16 bytes long.
Data: < ie > 18 69 65 C1 87 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x00000187C164F530, 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 0x00000187C16563D0, 16 bytes long.
Data: < he > F0 68 65 C1 87 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x00000187C16568F0, 992 bytes long.
Data: < ce 0 d > D0 63 65 C1 87 01 00 00 30 F5 64 C1 87 01 00 00
{94} normal block at 0x00000187C164F3B0, 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 0x00000187C16506E0, 16 bytes long.
Data: <@ c > 40 F0 63 C1 87 01 00 00 00 00 00 00 00 00 00 00
{92} normal block at 0x00000187C163F040, 40 bytes long.
Data: < e d > E0 06 65 C1 87 01 00 00 B0 F3 64 C1 87 01 00 00
{69} normal block at 0x00000187C1650A50, 16 bytes long.
Data: < mt > 80 EA 6D 74 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x00000187C16505F0, 16 bytes long.
Data: <@ mt > 40 E9 6D 74 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x00000187C164FDD0, 16 bytes long.
Data: < Wjt > F8 57 6A 74 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x00000187C16507D0, 16 bytes long.
Data: < Wjt > D8 57 6A 74 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x00000187C164FCE0, 16 bytes long.
Data: <P jt > 50 04 6A 74 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x00000187C1650550, 16 bytes long.
Data: <0 jt > 30 04 6A 74 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x00000187C1650370, 16 bytes long.
Data: < jt > E0 02 6A 74 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x00000187C1650960, 16 bytes long.
Data: < jt > 10 04 6A 74 F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x00000187C164FC90, 16 bytes long.
Data: <p jt > 70 04 6A 74 F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x00000187C164FC40, 16 bytes long.
Data: < ht > 18 C0 68 74 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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