Task 38607984
| Name | p38_A04_A15_r0_4-QUICO_ATM_OpenFF_p38-0-6-RND2236_0 |
| Workunit | 31561404 |
| Created | 14 Apr 2026, 15:02:56 UTC |
| Sent | 14 Apr 2026, 15:15:44 UTC |
| Report deadline | 19 Apr 2026, 15:15:44 UTC |
| Received | 14 Apr 2026, 18:18:19 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 649917 |
| Run time | 3 hours 2 min 35 sec |
| CPU time | 3 hours 4 min 20 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 44,484.92 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 737.93 MB |
| Peak swap size | 9.98 GB |
| Peak disk usage | 3.02 GB |
Stderr output
<core_client_version>8.2.9</core_client_version>
<![CDATA[
<stderr_txt>
17:17:32 (38160): wrapper (7.9.26016): starting
17:17:32 (38160): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A04_A15_0.pdb
QB_A04_A15_0.xml
QB_A04_A15.inpcrd
QB_A04_A15_input.yaml
QB_A04_A15.pdb
QB_A04_A15.prmtop
QB_A04_A15_sys.xml
run.bat
run.sh
17:17:33 (38160): Library/usr/bin/tar.exe exited; CPU time 0.015625
17:17:33 (38160): 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\1\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\1\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
20:17:46 (38160): C:/Windows/system32/cmd.exe exited; CPU time 11060.593750
20:17:46 (38160): 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: 218273519 bytes.
Dumping objects ->
{3835526} normal block at 0x000001AFB8C58730, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835515} normal block at 0x000001AFB8C58C00, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835504} normal block at 0x000001AFB8C590D0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835493} normal block at 0x000001AFB8C58340, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835482} normal block at 0x000001AFB8C585E0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835451} normal block at 0x000001AFBA9A4C00, 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) : {3835438} normal block at 0x000001AFB8C2CFE0, 8 bytes long.
Data: < »¸¯ > 00 00 BB B8 AF 01 00 00
{3833963} normal block at 0x000001AFB8C2CB30, 8 bytes long.
Data: < ªÅ¸¯ > A0 AA C5 B8 AF 01 00 00
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x000001AFB8C22290, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x000001AFB8C1EB00, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{297} normal block at 0x000001AFB8C35330, 16 bytes long.
Data: <(`ø¯ > 28 60 C3 B8 AF 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000001AFB8C35BF0, 16 bytes long.
Data: < `ø¯ > 00 60 C3 B8 AF 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001AFB8C30560, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{294} normal block at 0x000001AFB8C35A60, 16 bytes long.
Data: <Ø_ø¯ > D8 5F C3 B8 AF 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001AFB8C34E30, 16 bytes long.
Data: <°_ø¯ > B0 5F C3 B8 AF 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001AFB8C35AB0, 16 bytes long.
Data: < _ø¯ > 88 5F C3 B8 AF 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001AFB8C352E0, 16 bytes long.
Data: <`_ø¯ > 60 5F C3 B8 AF 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001AFB8C2EFF0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{289} normal block at 0x000001AFB8C34E80, 16 bytes long.
Data: < ¸¯ > 98 18 C2 B8 AF 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001AFB8C30680, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{287} normal block at 0x000001AFB8C359C0, 16 bytes long.
Data: <p ¸¯ > 70 18 C2 B8 AF 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001AFB8C354C0, 16 bytes long.
Data: <H ¸¯ > 48 18 C2 B8 AF 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001AFB8C357E0, 16 bytes long.
Data: < ¸¯ > 20 18 C2 B8 AF 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001AFB8C34ED0, 16 bytes long.
Data: <ø ¸¯ > F8 17 C2 B8 AF 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001AFB8C351A0, 16 bytes long.
Data: <Р¸¯ > D0 17 C2 B8 AF 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001AFB8C35C90, 16 bytes long.
Data: <¨ ¸¯ > A8 17 C2 B8 AF 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001AFB8C303E0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{279} normal block at 0x000001AFB8C356A0, 16 bytes long.
Data: < ¸¯ > 80 17 C2 B8 AF 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001AFB8C21780, 320 bytes long.
Data: < Vø¯ à ø¯ > A0 56 C3 B8 AF 01 00 00 E0 03 C3 B8 AF 01 00 00
{277} normal block at 0x000001AFB8C34D40, 16 bytes long.
Data: <@_ø¯ > 40 5F C3 B8 AF 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001AFB8C35150, 16 bytes long.
Data: < _ø¯ > 18 5F C3 B8 AF 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001AFB8C308C0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{274} normal block at 0x000001AFB8C35740, 16 bytes long.
Data: <ð^ø¯ > F0 5E C3 B8 AF 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001AFB8C30A40, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{272} normal block at 0x000001AFB8C35100, 16 bytes long.
Data: <8^ø¯ > 38 5E C3 B8 AF 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001AFB8C34F70, 16 bytes long.
Data: < ^ø¯ > 10 5E C3 B8 AF 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001AFB8C35290, 16 bytes long.
Data: <è]ø¯ > E8 5D C3 B8 AF 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001AFB8C356F0, 16 bytes long.
Data: <À]ø¯ > C0 5D C3 B8 AF 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001AFB8C350B0, 16 bytes long.
Data: < ]ø¯ > 98 5D C3 B8 AF 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001AFB8C35790, 16 bytes long.
Data: <p]ø¯ > 70 5D C3 B8 AF 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001AFB8C35240, 16 bytes long.
Data: < 븯 > 20 EB C2 B8 AF 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001AFB8C2EB20, 40 bytes long.
Data: <@Rø¯ Lšº¯ > 40 52 C3 B8 AF 01 00 00 00 4C 9A BA AF 01 00 00
{263} normal block at 0x000001AFB8C35880, 16 bytes long.
Data: <P]ø¯ > 50 5D C3 B8 AF 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001AFB8C35970, 16 bytes long.
Data: <(]ø¯ > 28 5D C3 B8 AF 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001AFB8C30FE0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{260} normal block at 0x000001AFB8C35560, 16 bytes long.
Data: < ]ø¯ > 00 5D C3 B8 AF 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001AFB8C35D00, 992 bytes long.
Data: <`Uø¯ à ø¯ > 60 55 C3 B8 AF 01 00 00 E0 0F C3 B8 AF 01 00 00
{95} normal block at 0x000001AFB8C30860, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{94} normal block at 0x000001AFB8C2C8B0, 16 bytes long.
Data: <Pí¸¯ > 50 ED C2 B8 AF 01 00 00 00 00 00 00 00 00 00 00
{93} normal block at 0x000001AFB8C2ED50, 40 bytes long.
Data: <°È¸¯ ` ø¯ > B0 C8 C2 B8 AF 01 00 00 60 08 C3 B8 AF 01 00 00
{72} normal block at 0x000001AFB8C2D1C0, 16 bytes long.
Data: < êWíö > 80 EA 57 ED F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000001AFB8C2D210, 16 bytes long.
Data: <@éWíö > 40 E9 57 ED F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000001AFB8C2D4E0, 16 bytes long.
Data: <øWTíö > F8 57 54 ED F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001AFB8C2D350, 16 bytes long.
Data: <ØWTíö > D8 57 54 ED F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001AFB8C2C950, 16 bytes long.
Data: <P Tíö > 50 04 54 ED F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001AFB8C2D0D0, 16 bytes long.
Data: <0 Tíö > 30 04 54 ED F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001AFB8C2CA90, 16 bytes long.
Data: <à Tíö > E0 02 54 ED F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001AFB8C2D080, 16 bytes long.
Data: < Tíö > 10 04 54 ED F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001AFB8C2D440, 16 bytes long.
Data: <p Tíö > 70 04 54 ED F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001AFB8C2D120, 16 bytes long.
Data: < ÀRíö > 18 C0 52 ED F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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