Task 38622842
| Name | hif2a_2_A39_A30_r0_1-QUICO_ATM_OpenFF_NAGL_hif2a_2-5-6-RND5605_0 |
| Workunit | 31573544 |
| Created | 21 Apr 2026, 0:17:02 UTC |
| Sent | 21 Apr 2026, 0:17:04 UTC |
| Report deadline | 26 Apr 2026, 0:17:04 UTC |
| Received | 21 Apr 2026, 3:28:38 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 559888 |
| Run time | 2 hours 43 min 2 sec |
| CPU time | 2 hours 43 min 2 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 112,287.89 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 495.17 MB |
| Peak swap size | 12.86 GB |
| Peak disk usage | 4.05 GB |
Stderr output
<core_client_version>8.2.9</core_client_version>
<![CDATA[
<stderr_txt>
01:48:28 (46408): wrapper (7.9.26016): starting
01:48:28 (46408): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A39_A30_0.pdb
QB_A39_A30_0.xml
QB_A39_A30.inpcrd
QB_A39_A30_input.yaml
QB_A39_A30.pdb
QB_A39_A30.prmtop
QB_A39_A30_sys.xml
run.bat
run.sh
01:48:29 (46408): Library/usr/bin/tar.exe exited; CPU time 0.000000
01:48:29 (46408): 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 'D:\Boinc\data\slots\32\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 'D:\Boinc\data\slots\32\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
04:28:11 (46408): C:/Windows/system32/cmd.exe exited; CPU time 9782.437500
04:28:11 (46408): 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: 214019238 bytes.
Dumping objects ->
{3835275} normal block at 0x000001E7FC844930, 48 bytes long.
Data: <PATH=D:\Boinc\da> 50 41 54 48 3D 44 3A 5C 42 6F 69 6E 63 5C 64 61
{3835264} normal block at 0x000001E7FE601430, 32 bytes long.
Data: <HOME=D:\Boinc\da> 48 4F 4D 45 3D 44 3A 5C 42 6F 69 6E 63 5C 64 61
{3835253} normal block at 0x000001E7FE6013D0, 32 bytes long.
Data: <TMP=D:\Boinc\dat> 54 4D 50 3D 44 3A 5C 42 6F 69 6E 63 5C 64 61 74
{3835242} normal block at 0x000001E7FE601C70, 32 bytes long.
Data: <TEMP=D:\Boinc\da> 54 45 4D 50 3D 44 3A 5C 42 6F 69 6E 63 5C 64 61
{3835231} normal block at 0x000001E7FE601A30, 32 bytes long.
Data: <TMPDIR=D:\Boinc\> 54 4D 50 44 49 52 3D 44 3A 5C 42 6F 69 6E 63 5C
{3835200} normal block at 0x000001E7FC844B60, 48 bytes long.
Data: <PATH=D:\Boinc\da> 50 41 54 48 3D 44 3A 5C 42 6F 69 6E 63 5C 64 61
{3835189} normal block at 0x000001E7FE5CD840, 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) : {3835186} normal block at 0x000001E7FC83DD00, 8 bytes long.
Data: < üç > 00 00 81 FC E7 01 00 00
{3834563} normal block at 0x000001E7FE5CC8A0, 85 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833957} normal block at 0x000001E7FC83DCB0, 8 bytes long.
Data: < ׂüç > 10 D7 82 FC E7 01 00 00
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x000001E7FC831280, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001E7FC8324F0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{294} normal block at 0x000001E7FC845F20, 16 bytes long.
Data: <¸g„üç > B8 67 84 FC E7 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001E7FC8457F0, 16 bytes long.
Data: < g„üç > 90 67 84 FC E7 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001E7FC840F40, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{291} normal block at 0x000001E7FC846380, 16 bytes long.
Data: <hg„üç > 68 67 84 FC E7 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001E7FC8457A0, 16 bytes long.
Data: <@g„üç > 40 67 84 FC E7 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001E7FC8462E0, 16 bytes long.
Data: < g„üç > 18 67 84 FC E7 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001E7FC845CA0, 16 bytes long.
Data: <ðf„üç > F0 66 84 FC E7 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001E7FC844E70, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{286} normal block at 0x000001E7FC845890, 16 bytes long.
Data: <H ƒüç > 48 07 83 FC E7 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001E7FC8415A0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{284} normal block at 0x000001E7FC845750, 16 bytes long.
Data: < ƒüç > 20 07 83 FC E7 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001E7FC846240, 16 bytes long.
Data: <ø ƒüç > F8 06 83 FC E7 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001E7FC846010, 16 bytes long.
Data: <Ð ƒüç > D0 06 83 FC E7 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001E7FC845700, 16 bytes long.
Data: <¨ ƒüç > A8 06 83 FC E7 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001E7FC8458E0, 16 bytes long.
Data: < ƒüç > 80 06 83 FC E7 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001E7FC845DE0, 16 bytes long.
Data: <X ƒüç > 58 06 83 FC E7 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001E7FC840EE0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{276} normal block at 0x000001E7FC8455C0, 16 bytes long.
Data: <0 ƒüç > 30 06 83 FC E7 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001E7FC830630, 320 bytes long.
Data: <ÀU„üç à „üç > C0 55 84 FC E7 01 00 00 E0 0E 84 FC E7 01 00 00
{274} normal block at 0x000001E7FC8460B0, 16 bytes long.
Data: <Ðf„üç > D0 66 84 FC E7 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001E7FC845570, 16 bytes long.
Data: <¨f„üç > A8 66 84 FC E7 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001E7FC840E80, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{271} normal block at 0x000001E7FC845C00, 16 bytes long.
Data: < f„üç > 80 66 84 FC E7 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001E7FC840BE0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{269} normal block at 0x000001E7FC845520, 16 bytes long.
Data: <Èe„üç > C8 65 84 FC E7 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001E7FC845C50, 16 bytes long.
Data: < e„üç > A0 65 84 FC E7 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001E7FC846290, 16 bytes long.
Data: <xe„üç > 78 65 84 FC E7 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001E7FC845BB0, 16 bytes long.
Data: <Pe„üç > 50 65 84 FC E7 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001E7FC8463D0, 16 bytes long.
Data: <(e„üç > 28 65 84 FC E7 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001E7FC846150, 16 bytes long.
Data: < e„üç > 00 65 84 FC E7 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001E7FC8456B0, 16 bytes long.
Data: < N„üç > 00 4E 84 FC E7 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001E7FC844E00, 40 bytes long.
Data: <°V„üç `K„üç > B0 56 84 FC E7 01 00 00 60 4B 84 FC E7 01 00 00
{260} normal block at 0x000001E7FC846330, 16 bytes long.
Data: <àd„üç > E0 64 84 FC E7 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001E7FC8454D0, 16 bytes long.
Data: <¸d„üç > B8 64 84 FC E7 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001E7FC840A00, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{257} normal block at 0x000001E7FC845660, 16 bytes long.
Data: < d„üç > 90 64 84 FC E7 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x000001E7FC846490, 992 bytes long.
Data: <`V„üç „üç > 60 56 84 FC E7 01 00 00 00 0A 84 FC E7 01 00 00
{92} normal block at 0x000001E7FC840E20, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{91} normal block at 0x000001E7FC83DDF0, 16 bytes long.
Data: <  „üç > A0 08 84 FC E7 01 00 00 00 00 00 00 00 00 00 00
{90} normal block at 0x000001E7FC8408A0, 40 bytes long.
Data: <ð݃üç „üç > F0 DD 83 FC E7 01 00 00 20 0E 84 FC E7 01 00 00
{69} normal block at 0x000001E7FC83D8F0, 16 bytes long.
Data: < ê ÷ > 80 EA 1A 8D F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001E7FC83D8A0, 16 bytes long.
Data: <@é ÷ > 40 E9 1A 8D F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001E7FC83DF30, 16 bytes long.
Data: <øW ÷ > F8 57 17 8D F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001E7FC83DA80, 16 bytes long.
Data: <ØW ÷ > D8 57 17 8D F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001E7FC83DA30, 16 bytes long.
Data: <P ÷ > 50 04 17 8D F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001E7FC83D620, 16 bytes long.
Data: <0 ÷ > 30 04 17 8D F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001E7FC83D670, 16 bytes long.
Data: <à ÷ > E0 02 17 8D F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001E7FC83DC60, 16 bytes long.
Data: < ÷ > 10 04 17 8D F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001E7FC83D300, 16 bytes long.
Data: <p ÷ > 70 04 17 8D F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000001E7FC83D760, 16 bytes long.
Data: < À ÷ > 18 C0 15 8D F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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