Task 38681965
| Name | test_293-GPUGRID_TEST_ATM_40STEP_20261023-29-40-RND4941_0 |
| Workunit | 31623605 |
| Created | 27 Oct 2026, 6:00:36 UTC |
| Sent | 27 Oct 2026, 6:00:48 UTC |
| Report deadline | 1 Nov 2026, 6:00:48 UTC |
| Received | 27 Oct 2026, 14:09:07 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 631520 |
| Run time | 36 min 9 sec |
| CPU time | 33 min 32 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 6,608.41 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 697.46 MB |
| Peak swap size | 5.25 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
15:48:20 (13052): wrapper (7.9.26016): starting
15:48:20 (13052): 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
15:48:22 (13052): Library/usr/bin/tar.exe exited; CPU time 0.000000
15:48:22 (13052): 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.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3835180} normal block at 0x00000246575C0990, 8 bytes long.
Data: < WWF > 00 00 57 57 46 02 00 00
..\lib\diagnostics_win.cpp(417) : {3834036} normal block at 0x00000246595A3D00, 1080 bytes long.
Data: < J D > AC 4A 00 00 CD CD CD CD 44 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x00000246575AFFA0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
22:53:39 (18660): wrapper (7.9.26016): starting
22:53:39 (18660): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
ƒTƒuƒfƒBƒŒƒNƒgƒŠ‚Ü‚½‚̓tƒ@ƒCƒ‹ C:\ProgramData\BOINC\slots\0\tmp ‚ÍŠù‚É‘¶Ý‚µ‚Ü‚·B
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
23:07:25 (18660): C:/Windows/system32/cmd.exe exited; CPU time 784.562500
23:07:25 (18660): 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: 14927982 bytes.
Dumping objects ->
{1532} normal block at 0x0000018D034046D0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1521} normal block at 0x0000018D03404890, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1510} normal block at 0x0000018D03404AC0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1499} normal block at 0x0000018D03404A50, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1488} normal block at 0x0000018D03404C80, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1457} normal block at 0x0000018D033EFC50, 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) : {1444} normal block at 0x0000018D03405E80, 8 bytes long.
Data: < 8 > 00 00 38 03 8D 01 00 00
{301} normal block at 0x0000018D03405D40, 8 bytes long.
Data: < e@ > E0 65 40 03 8D 01 00 00
{292} normal block at 0x0000018D033F7640, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{291} normal block at 0x0000018D03406100, 16 bytes long.
Data: < d@ > E8 64 40 03 8D 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000018D03405CA0, 16 bytes long.
Data: < d@ > C0 64 40 03 8D 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000018D033FF580, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{288} normal block at 0x0000018D034057A0, 16 bytes long.
Data: < d@ > 98 64 40 03 8D 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000018D03405480, 16 bytes long.
Data: <pd@ > 70 64 40 03 8D 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000018D034052F0, 16 bytes long.
Data: <Hd@ > 48 64 40 03 8D 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000018D03405700, 16 bytes long.
Data: < d@ > 20 64 40 03 8D 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000018D034047B0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{283} normal block at 0x0000018D03405F70, 16 bytes long.
Data: < > > B8 EE 3E 03 8D 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000018D033FFCA0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{281} normal block at 0x0000018D03406060, 16 bytes long.
Data: < > > 90 EE 3E 03 8D 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000018D03405C50, 16 bytes long.
Data: <h > > 68 EE 3E 03 8D 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000018D03405660, 16 bytes long.
Data: <@ > > 40 EE 3E 03 8D 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000018D03405DE0, 16 bytes long.
Data: < > > 18 EE 3E 03 8D 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000018D034057F0, 16 bytes long.
Data: < > > F0 ED 3E 03 8D 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000018D03405B10, 16 bytes long.
Data: < > > C8 ED 3E 03 8D 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000018D033FFC40, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{273} normal block at 0x0000018D03405E30, 16 bytes long.
Data: < > > A0 ED 3E 03 8D 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000018D033EEDA0, 320 bytes long.
Data: <0^@ @ ? > 30 5E 40 03 8D 01 00 00 40 FC 3F 03 8D 01 00 00
{271} normal block at 0x0000018D034052A0, 16 bytes long.
Data: < d@ > 00 64 40 03 8D 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000018D03405C00, 16 bytes long.
Data: < c@ > D8 63 40 03 8D 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000018D033FF940, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{268} normal block at 0x0000018D03405F20, 16 bytes long.
Data: < c@ > B0 63 40 03 8D 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000018D033FFBE0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{266} normal block at 0x0000018D03405CF0, 16 bytes long.
Data: < b@ > F8 62 40 03 8D 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000018D03405390, 16 bytes long.
Data: < b@ > D0 62 40 03 8D 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000018D03405BB0, 16 bytes long.
Data: < b@ > A8 62 40 03 8D 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000018D034060B0, 16 bytes long.
Data: < b@ > 80 62 40 03 8D 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000018D03405B60, 16 bytes long.
Data: <Xb@ > 58 62 40 03 8D 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000018D03405520, 16 bytes long.
Data: <0b@ > 30 62 40 03 8D 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x0000018D034053E0, 16 bytes long.
Data: <`F@ > 60 46 40 03 8D 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x0000018D03404660, 40 bytes long.
Data: < S@ P > > E0 53 40 03 8D 01 00 00 50 FC 3E 03 8D 01 00 00
{257} normal block at 0x0000018D034056B0, 16 bytes long.
Data: < b@ > 10 62 40 03 8D 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x0000018D03405610, 16 bytes long.
Data: < a@ > E8 61 40 03 8D 01 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x0000018D033FFF40, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{254} normal block at 0x0000018D03405FC0, 16 bytes long.
Data: < a@ > C0 61 40 03 8D 01 00 00 00 00 00 00 00 00 00 00
{253} normal block at 0x0000018D034061C0, 992 bytes long.
Data: < _@ @ ? > C0 5F 40 03 8D 01 00 00 40 FF 3F 03 8D 01 00 00
{89} normal block at 0x0000018D033FF280, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{88} normal block at 0x0000018D03400E10, 16 bytes long.
Data: < > > A0 C2 3E 03 8D 01 00 00 00 00 00 00 00 00 00 00
{87} normal block at 0x0000018D033EC2A0, 40 bytes long.
Data: < @ ? > 10 0E 40 03 8D 01 00 00 80 F2 3F 03 8D 01 00 00
{64} normal block at 0x0000018D03400FF0, 16 bytes long.
Data: < Q > 80 EA 18 51 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000018D03400F00, 16 bytes long.
Data: <@ Q > 40 E9 18 51 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000018D03400960, 16 bytes long.
Data: < W Q > F8 57 15 51 F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x0000018D03400FA0, 16 bytes long.
Data: < W Q > D8 57 15 51 F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x0000018D03400460, 16 bytes long.
Data: <P Q > 50 04 15 51 F6 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x0000018D034005F0, 16 bytes long.
Data: <0 Q > 30 04 15 51 F6 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x0000018D03400910, 16 bytes long.
Data: < Q > E0 02 15 51 F6 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x0000018D03400C80, 16 bytes long.
Data: < Q > 10 04 15 51 F6 7F 00 00 00 00 00 00 00 00 00 00
{56} normal block at 0x0000018D03400730, 16 bytes long.
Data: <p Q > 70 04 15 51 F6 7F 00 00 00 00 00 00 00 00 00 00
{55} normal block at 0x0000018D03400D20, 16 bytes long.
Data: < Q > 18 C0 13 51 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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