Task 38610260
| Name | p38_A27_A20_r0_1-QUICO_ATM_OpenFF_p38-1-6-RND3687_0 |
| Workunit | 31563195 |
| Created | 15 Apr 2026, 8:08:35 UTC |
| Sent | 15 Apr 2026, 8:08:44 UTC |
| Report deadline | 20 Apr 2026, 8:08:44 UTC |
| Received | 16 Apr 2026, 3:19:42 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 605003 |
| Run time | 4 hours 40 min 46 sec |
| CPU time | 4 hours 40 min 46 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 50,489.32 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 728.86 MB |
| Peak swap size | 13.04 GB |
| Peak disk usage | 4.18 GB |
Stderr output
<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
00:09:54 (41064): wrapper (7.9.26016): starting
00:09:54 (41064): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A27_A20_0.pdb
QB_A27_A20_0.xml
QB_A27_A20.inpcrd
QB_A27_A20_input.yaml
QB_A27_A20.pdb
QB_A27_A20.prmtop
QB_A27_A20_sys.xml
run.bat
run.sh
00:09:57 (41064): Library/usr/bin/tar.exe exited; CPU time 0.000000
00:09:57 (41064): 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:\Boinc\005\slots\3\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:\Boinc\005\slots\3\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
05:18:43 (41064): C:/Windows/system32/cmd.exe exited; CPU time 16846.703125
05:18:43 (41064): called boinc_finish(0)
0 bytes in 0 Free Blocks.
456 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: 560897617 bytes.
Dumping objects ->
{3835648} normal block at 0x00000184FB4F4750, 48 bytes long.
Data: <PATH=c:\boinc\00> 50 41 54 48 3D 63 3A 5C 62 6F 69 6E 63 5C 30 30
{3835637} normal block at 0x00000184FD2D0680, 32 bytes long.
Data: <HOME=c:\boinc\00> 48 4F 4D 45 3D 63 3A 5C 62 6F 69 6E 63 5C 30 30
{3835626} normal block at 0x00000184FD2D03E0, 32 bytes long.
Data: <TMP=c:\boinc\005> 54 4D 50 3D 63 3A 5C 62 6F 69 6E 63 5C 30 30 35
{3835614} normal block at 0x00000184FD2CF960, 32 bytes long.
Data: <TEMP=c:\boinc\00> 54 45 4D 50 3D 63 3A 5C 62 6F 69 6E 63 5C 30 30
{3835603} normal block at 0x00000184FD2D0380, 32 bytes long.
Data: <TMPDIR=c:\boinc\> 54 4D 50 44 49 52 3D 63 3A 5C 62 6F 69 6E 63 5C
{3835572} normal block at 0x00000184FB4F4E50, 48 bytes long.
Data: <PATH=c:\boinc\00> 50 41 54 48 3D 63 3A 5C 62 6F 69 6E 63 5C 30 30
{3835561} normal block at 0x00000184FB559F00, 140 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) : {3835558} normal block at 0x00000184FB4ED6D0, 8 bytes long.
Data: < Lû„ > 00 00 4C FB 84 01 00 00
{3834731} normal block at 0x00000184FB559BC0, 140 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833967} normal block at 0x00000184FB4ED590, 8 bytes long.
Data: <p×Mû„ > 70 D7 4D FB 84 01 00 00
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x00000184FB4E08B0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x00000184FB4E1B00, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{299} normal block at 0x00000184FB4F5BD0, 16 bytes long.
Data: <HfOû„ > 48 66 4F FB 84 01 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x00000184FB4F59A0, 16 bytes long.
Data: < fOû„ > 20 66 4F FB 84 01 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x00000184FB4F08F0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{296} normal block at 0x00000184FB4F5950, 16 bytes long.
Data: <øeOû„ > F8 65 4F FB 84 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x00000184FB4F5900, 16 bytes long.
Data: <ÐeOû„ > D0 65 4F FB 84 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x00000184FB4F58B0, 16 bytes long.
Data: <¨eOû„ > A8 65 4F FB 84 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x00000184FB4F53B0, 16 bytes long.
Data: < eOû„ > 80 65 4F FB 84 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x00000184FB4F4C20, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{291} normal block at 0x00000184FB4F5860, 16 bytes long.
Data: < òMû„ > 98 F2 4D FB 84 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x00000184FB4F1070, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{289} normal block at 0x00000184FB4F5360, 16 bytes long.
Data: <pòMû„ > 70 F2 4D FB 84 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x00000184FB4F5810, 16 bytes long.
Data: <HòMû„ > 48 F2 4D FB 84 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x00000184FB4F5DB0, 16 bytes long.
Data: < òMû„ > 20 F2 4D FB 84 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x00000184FB4F57C0, 16 bytes long.
Data: <øñMû„ > F8 F1 4D FB 84 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x00000184FB4F5770, 16 bytes long.
Data: <ÐñMû„ > D0 F1 4D FB 84 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x00000184FB4F54F0, 16 bytes long.
Data: <¨ñMû„ > A8 F1 4D FB 84 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x00000184FB4F0B30, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{281} normal block at 0x00000184FB4F5E50, 16 bytes long.
Data: < ñMû„ > 80 F1 4D FB 84 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x00000184FB4DF180, 320 bytes long.
Data: <P^Oû„ 0 Oû„ > 50 5E 4F FB 84 01 00 00 30 0B 4F FB 84 01 00 00
{279} normal block at 0x00000184FB4F5B80, 16 bytes long.
Data: <`eOû„ > 60 65 4F FB 84 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x00000184FB4F59F0, 16 bytes long.
Data: <8eOû„ > 38 65 4F FB 84 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x00000184FB4F0B90, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{276} normal block at 0x00000184FB4F5720, 16 bytes long.
Data: < eOû„ > 10 65 4F FB 84 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x00000184FB4F10D0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{274} normal block at 0x00000184FB4F55E0, 16 bytes long.
Data: <XdOû„ > 58 64 4F FB 84 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x00000184FB4F6080, 16 bytes long.
Data: <0dOû„ > 30 64 4F FB 84 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x00000184FB4F60D0, 16 bytes long.
Data: < dOû„ > 08 64 4F FB 84 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x00000184FB4F6030, 16 bytes long.
Data: <àcOû„ > E0 63 4F FB 84 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x00000184FB4F5AE0, 16 bytes long.
Data: <¸cOû„ > B8 63 4F FB 84 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x00000184FB4F5D60, 16 bytes long.
Data: < cOû„ > 90 63 4F FB 84 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x00000184FB4F5E00, 16 bytes long.
Data: <@KOû„ > 40 4B 4F FB 84 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x00000184FB4F4B40, 40 bytes long.
Data: < ^Oû„ PNOû„ > 00 5E 4F FB 84 01 00 00 50 4E 4F FB 84 01 00 00
{265} normal block at 0x00000184FB4F5D10, 16 bytes long.
Data: <pcOû„ > 70 63 4F FB 84 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x00000184FB4F5CC0, 16 bytes long.
Data: <HcOû„ > 48 63 4F FB 84 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x00000184FB4F0AD0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{262} normal block at 0x00000184FB4F5FE0, 16 bytes long.
Data: < cOû„ > 20 63 4F FB 84 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x00000184FB4F6320, 992 bytes long.
Data: <à_Oû„ Ð Oû„ > E0 5F 4F FB 84 01 00 00 D0 0A 4F FB 84 01 00 00
{97} normal block at 0x00000184FB4F0E30, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{96} normal block at 0x00000184FB4EDA40, 16 bytes long.
Data: < ÁMû„ > 10 C1 4D FB 84 01 00 00 00 00 00 00 00 00 00 00
{95} normal block at 0x00000184FB4DC110, 40 bytes long.
Data: <@ÚNû„ 0 Oû„ > 40 DA 4E FB 84 01 00 00 30 0E 4F FB 84 01 00 00
{74} normal block at 0x00000184FB4ED9F0, 16 bytes long.
Data: < ê¬A÷ > 80 EA AC 41 F7 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x00000184FB4ED2C0, 16 bytes long.
Data: <@é¬A÷ > 40 E9 AC 41 F7 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x00000184FB4ED540, 16 bytes long.
Data: <øW©A÷ > F8 57 A9 41 F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x00000184FB4ED5E0, 16 bytes long.
Data: <ØW©A÷ > D8 57 A9 41 F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x00000184FB4EDE00, 16 bytes long.
Data: <P ©A÷ > 50 04 A9 41 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x00000184FB4EDD60, 16 bytes long.
Data: <0 ©A÷ > 30 04 A9 41 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x00000184FB4ED4A0, 16 bytes long.
Data: <à ©A÷ > E0 02 A9 41 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x00000184FB4ED950, 16 bytes long.
Data: < ©A÷ > 10 04 A9 41 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x00000184FB4ECF50, 16 bytes long.
Data: <p ©A÷ > 70 04 A9 41 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x00000184FB4EDC20, 16 bytes long.
Data: < À§A÷ > 18 C0 A7 41 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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