Task 38609102
| Name | p38_A08_A01_r0_2-QUICO_ATM_OpenFF_p38-1-6-RND4164_0 |
| Workunit | 31562236 |
| Created | 14 Apr 2026, 20:56:24 UTC |
| Sent | 14 Apr 2026, 20:56:30 UTC |
| Report deadline | 19 Apr 2026, 20:56:30 UTC |
| Received | 15 Apr 2026, 2:43:42 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 620393 |
| Run time | 4 hours 25 min 29 sec |
| CPU time | 4 hours 11 min 3 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 41,942.09 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 705.01 MB |
| Peak swap size | 8.45 GB |
| Peak disk usage | 3.08 GB |
Stderr output
<core_client_version>8.2.9</core_client_version>
<![CDATA[
<stderr_txt>
23:56:12 (36068): wrapper (7.9.26016): starting
23:56:12 (36068): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A08_A01_0.pdb
QB_A08_A01_0.xml
QB_A08_A01.inpcrd
QB_A08_A01_input.yaml
QB_A08_A01.pdb
QB_A08_A01.prmtop
QB_A08_A01_sys.xml
run.bat
run.sh
23:56:13 (36068): Library/usr/bin/tar.exe exited; CPU time 0.015625
23:56:13 (36068): 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.
02:32:14 (19392): wrapper (7.9.26016): starting
02:32:14 (19392): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Un sous-r‚pertoire ou un fichier C:\ProgramData\BOINC\slots\0\tmp existe d‚j….
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
tar: run.log: file changed as we read it
04:42:50 (19392): C:/Windows/system32/cmd.exe exited; CPU time 7530.937500
04:42:50 (19392): 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: 143871476 bytes.
Dumping objects ->
{1553} normal block at 0x0000013A24FB6980, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1542} normal block at 0x0000013A24FB64B0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1531} normal block at 0x0000013A24FB63D0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1520} normal block at 0x0000013A24FB67C0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1509} normal block at 0x0000013A24FB6520, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1478} normal block at 0x0000013A24F9F440, 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) : {1465} normal block at 0x0000013A24FB5250, 8 bytes long.
Data: < R%: > 00 00 52 25 3A 01 00 00
{306} normal block at 0x0000013A24FB53E0, 8 bytes long.
Data: < n $: > D0 6E FB 24 3A 01 00 00
{297} normal block at 0x0000013A24FA2710, 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 0x0000013A24FB5D40, 16 bytes long.
Data: < m $: > D8 6D FB 24 3A 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000013A24FB52F0, 16 bytes long.
Data: < m $: > B0 6D FB 24 3A 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000013A24FAFCE0, 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 0x0000013A24FB52A0, 16 bytes long.
Data: < m $: > 88 6D FB 24 3A 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000013A24FB5200, 16 bytes long.
Data: <`m $: > 60 6D FB 24 3A 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000013A24FB5E30, 16 bytes long.
Data: <8m $: > 38 6D FB 24 3A 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000013A24FB5B10, 16 bytes long.
Data: < m $: > 10 6D FB 24 3A 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000013A24FB6750, 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 0x0000013A24FB5AC0, 16 bytes long.
Data: < $: > D8 08 FA 24 3A 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000013A24FAFEC0, 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 0x0000013A24FB51B0, 16 bytes long.
Data: < $: > B0 08 FA 24 3A 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000013A24FB5A70, 16 bytes long.
Data: < $: > 88 08 FA 24 3A 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000013A24FB5160, 16 bytes long.
Data: <` $: > 60 08 FA 24 3A 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000013A24FB59D0, 16 bytes long.
Data: <8 $: > 38 08 FA 24 3A 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000013A24FB5BB0, 16 bytes long.
Data: < $: > 10 08 FA 24 3A 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000013A24FB5610, 16 bytes long.
Data: < $: > E8 07 FA 24 3A 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000013A24FB0460, 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 0x0000013A24FB5980, 16 bytes long.
Data: < $: > C0 07 FA 24 3A 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000013A24FA07C0, 320 bytes long.
Data: < Y $: ` $: > 80 59 FB 24 3A 01 00 00 60 04 FB 24 3A 01 00 00
{276} normal block at 0x0000013A24FB4F30, 16 bytes long.
Data: < l $: > F0 6C FB 24 3A 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000013A24FB5020, 16 bytes long.
Data: < l $: > C8 6C FB 24 3A 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000013A24FAFC20, 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 0x0000013A24FB5930, 16 bytes long.
Data: < l $: > A0 6C FB 24 3A 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000013A24FAF9E0, 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 0x0000013A24FB5390, 16 bytes long.
Data: < k $: > E8 6B FB 24 3A 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000013A24FB54D0, 16 bytes long.
Data: < k $: > C0 6B FB 24 3A 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000013A24FB50C0, 16 bytes long.
Data: < k $: > 98 6B FB 24 3A 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000013A24FB5C00, 16 bytes long.
Data: <pk $: > 70 6B FB 24 3A 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000013A24FB55C0, 16 bytes long.
Data: <Hk $: > 48 6B FB 24 3A 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000013A24FB5CF0, 16 bytes long.
Data: < k $: > 20 6B FB 24 3A 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000013A24FB5520, 16 bytes long.
Data: <`c $: > 60 63 FB 24 3A 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000013A24FB6360, 40 bytes long.
Data: < U $: @ $: > 20 55 FB 24 3A 01 00 00 40 F4 F9 24 3A 01 00 00
{262} normal block at 0x0000013A24FB4F80, 16 bytes long.
Data: < k $: > 00 6B FB 24 3A 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000013A24FB5110, 16 bytes long.
Data: < j $: > D8 6A FB 24 3A 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000013A24FB01C0, 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 0x0000013A24FB5570, 16 bytes long.
Data: < j $: > B0 6A FB 24 3A 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x0000013A24FB6AB0, 992 bytes long.
Data: <pU $: $: > 70 55 FB 24 3A 01 00 00 C0 01 FB 24 3A 01 00 00
{94} normal block at 0x0000013A24FAFE00, 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 0x0000013A24FADC10, 16 bytes long.
Data: < $: > A0 C7 F9 24 3A 01 00 00 00 00 00 00 00 00 00 00
{92} normal block at 0x0000013A24F9C7A0, 40 bytes long.
Data: < $: $: > 10 DC FA 24 3A 01 00 00 00 FE FA 24 3A 01 00 00
{71} normal block at 0x0000013A24FADBC0, 16 bytes long.
Data: < 4H > 80 EA 34 48 F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x0000013A24FAD670, 16 bytes long.
Data: <@ 4H > 40 E9 34 48 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000013A24FAE340, 16 bytes long.
Data: < W1H > F8 57 31 48 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000013A24FAD530, 16 bytes long.
Data: < W1H > D8 57 31 48 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000013A24FAD9E0, 16 bytes long.
Data: <P 1H > 50 04 31 48 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000013A24FAE0C0, 16 bytes long.
Data: <0 1H > 30 04 31 48 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000013A24FAD8A0, 16 bytes long.
Data: < 1H > E0 02 31 48 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000013A24FADE90, 16 bytes long.
Data: < 1H > 10 04 31 48 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000013A24FAD580, 16 bytes long.
Data: <p 1H > 70 04 31 48 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000013A24FAE1B0, 16 bytes long.
Data: < /H > 18 C0 2F 48 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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