Task 38635576
| Name | cdk8_A14_A15_r0_3-QUICO_ATM_GAFF2_NAGL_cdk8-5-6-RND6214_0 |
| Workunit | 31583990 |
| Created | 28 Apr 2026, 14:24:43 UTC |
| Sent | 28 Apr 2026, 14:24:48 UTC |
| Report deadline | 3 May 2026, 14:24:48 UTC |
| Received | 29 Apr 2026, 16:36:07 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 651977 |
| Run time | 5 hours 58 min 36 sec |
| CPU time | 5 hours 51 min 37 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 84,050.92 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 973.81 MB |
| Peak swap size | 13.56 GB |
| Peak disk usage | 3.26 GB |
Stderr output
<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
11:42:01 (39020): wrapper (7.9.26016): starting
11:42:01 (39020): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A14_A15_0.pdb
QB_A14_A15_0.xml
QB_A14_A15.inpcrd
QB_A14_A15_input.yaml
QB_A14_A15.pdb
QB_A14_A15.prmtop
QB_A14_A15_sys.xml
run.bat
run.sh
11:42:04 (39020): Library/usr/bin/tar.exe exited; CPU time 0.000000
11:42:04 (39020): 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\004\slots\2\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\004\slots\2\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
18:35:00 (39020): C:/Windows/system32/cmd.exe exited; CPU time 21097.250000
18:35:00 (39020): 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: 737553981 bytes.
Dumping objects ->
{3835245} normal block at 0x0000024BBDA76430, 48 bytes long.
Data: <PATH=c:\boinc\00> 50 41 54 48 3D 63 3A 5C 62 6F 69 6E 63 5C 30 30
{3835234} normal block at 0x0000024BBF7D5CD0, 32 bytes long.
Data: <HOME=c:\boinc\00> 48 4F 4D 45 3D 63 3A 5C 62 6F 69 6E 63 5C 30 30
{3835223} normal block at 0x0000024BBF7D5AF0, 32 bytes long.
Data: <TMP=c:\boinc\004> 54 4D 50 3D 63 3A 5C 62 6F 69 6E 63 5C 30 30 34
{3835212} normal block at 0x0000024BBF7D5430, 32 bytes long.
Data: <TEMP=c:\boinc\00> 54 45 4D 50 3D 63 3A 5C 62 6F 69 6E 63 5C 30 30
{3835201} normal block at 0x0000024BBF7D5250, 32 bytes long.
Data: <TMPDIR=c:\boinc\> 54 4D 50 44 49 52 3D 63 3A 5C 62 6F 69 6E 63 5C
{3835170} normal block at 0x0000024BBDA763C0, 48 bytes long.
Data: <PATH=c:\boinc\00> 50 41 54 48 3D 63 3A 5C 62 6F 69 6E 63 5C 30 30
{3835159} normal block at 0x0000024BBDABE310, 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) : {3835156} normal block at 0x0000024BBDA6DB30, 8 bytes long.
Data: <  ½K > 00 00 A0 BD 4B 02 00 00
{3834543} normal block at 0x0000024BBDABEF40, 140 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833941} normal block at 0x0000024BBDA6D770, 8 bytes long.
Data: < Õ¥½K > 00 D5 A5 BD 4B 02 00 00
..\zip\boinc_zip.cpp(122) : {302} normal block at 0x0000024BBDA60DF0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000024BBDA61D40, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{286} normal block at 0x0000024BBDA755E0, 16 bytes long.
Data: < ^§½K > 18 5E A7 BD 4B 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000024BBDA74CD0, 16 bytes long.
Data: <ð]§½K > F0 5D A7 BD 4B 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000024BBDA70ED0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{283} normal block at 0x0000024BBDA74C80, 16 bytes long.
Data: <È]§½K > C8 5D A7 BD 4B 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000024BBDA74C30, 16 bytes long.
Data: < ]§½K > A0 5D A7 BD 4B 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000024BBDA74BE0, 16 bytes long.
Data: <x]§½K > 78 5D A7 BD 4B 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000024BBDA74EB0, 16 bytes long.
Data: <P]§½K > 50 5D A7 BD 4B 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000024BBDA76200, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{278} normal block at 0x0000024BBDA74A50, 16 bytes long.
Data: <8 ¦½K > 38 05 A6 BD 4B 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000024BBDA70B70, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{276} normal block at 0x0000024BBDA748C0, 16 bytes long.
Data: < ¦½K > 10 05 A6 BD 4B 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000024BBDA74870, 16 bytes long.
Data: <è ¦½K > E8 04 A6 BD 4B 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000024BBDA74A00, 16 bytes long.
Data: <À ¦½K > C0 04 A6 BD 4B 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000024BBDA75590, 16 bytes long.
Data: < ¦½K > 98 04 A6 BD 4B 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000024BBDA74FA0, 16 bytes long.
Data: <p ¦½K > 70 04 A6 BD 4B 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000024BBDA753B0, 16 bytes long.
Data: <H ¦½K > 48 04 A6 BD 4B 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000024BBDA70870, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{268} normal block at 0x0000024BBDA75180, 16 bytes long.
Data: < ¦½K > 20 04 A6 BD 4B 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000024BBDA60420, 320 bytes long.
Data: < Q§½K p §½K > 80 51 A7 BD 4B 02 00 00 70 08 A7 BD 4B 02 00 00
{266} normal block at 0x0000024BBDA75450, 16 bytes long.
Data: <0]§½K > 30 5D A7 BD 4B 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000024BBDA749B0, 16 bytes long.
Data: < ]§½K > 08 5D A7 BD 4B 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000024BBDA71110, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{263} normal block at 0x0000024BBDA74B90, 16 bytes long.
Data: <à\§½K > E0 5C A7 BD 4B 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000024BBDA70C30, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{261} normal block at 0x0000024BBDA74B40, 16 bytes long.
Data: <(\§½K > 28 5C A7 BD 4B 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000024BBDA74F00, 16 bytes long.
Data: < \§½K > 00 5C A7 BD 4B 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x0000024BBDA74910, 16 bytes long.
Data: <Ø[§½K > D8 5B A7 BD 4B 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x0000024BBDA75540, 16 bytes long.
Data: <°[§½K > B0 5B A7 BD 4B 02 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x0000024BBDA74AF0, 16 bytes long.
Data: < [§½K > 88 5B A7 BD 4B 02 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x0000024BBDA74F50, 16 bytes long.
Data: <`[§½K > 60 5B A7 BD 4B 02 00 00 00 00 00 00 00 00 00 00
{254} normal block at 0x0000024BBDA754F0, 16 bytes long.
Data: < ⥽K > 80 E2 A5 BD 4B 02 00 00 00 00 00 00 00 00 00 00
{253} normal block at 0x0000024BBDA5E280, 40 bytes long.
Data: <ðT§½K Àc§½K > F0 54 A7 BD 4B 02 00 00 C0 63 A7 BD 4B 02 00 00
{252} normal block at 0x0000024BBDA74820, 16 bytes long.
Data: <@[§½K > 40 5B A7 BD 4B 02 00 00 00 00 00 00 00 00 00 00
{251} normal block at 0x0000024BBDA75130, 16 bytes long.
Data: < [§½K > 18 5B A7 BD 4B 02 00 00 00 00 00 00 00 00 00 00
{250} normal block at 0x0000024BBDA71230, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{249} normal block at 0x0000024BBDA754A0, 16 bytes long.
Data: <ðZ§½K > F0 5A A7 BD 4B 02 00 00 00 00 00 00 00 00 00 00
{248} normal block at 0x0000024BBDA75AF0, 992 bytes long.
Data: < T§½K 0 §½K > A0 54 A7 BD 4B 02 00 00 30 12 A7 BD 4B 02 00 00
{84} normal block at 0x0000024BBDA70510, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{83} normal block at 0x0000024BBDA6D720, 16 bytes long.
Data: <0Ú¥½K > 30 DA A5 BD 4B 02 00 00 00 00 00 00 00 00 00 00
{82} normal block at 0x0000024BBDA5DA30, 40 bytes long.
Data: < צ½K §½K > 20 D7 A6 BD 4B 02 00 00 10 05 A7 BD 4B 02 00 00
{61} normal block at 0x0000024BBDA6D090, 16 bytes long.
Data: < êŒ+ö > 80 EA 8C 2B F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x0000024BBDA6CEB0, 16 bytes long.
Data: <@éŒ+ö > 40 E9 8C 2B F6 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x0000024BBDA6CF50, 16 bytes long.
Data: <øW‰+ö > F8 57 89 2B F6 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x0000024BBDA6D360, 16 bytes long.
Data: <ØW‰+ö > D8 57 89 2B F6 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x0000024BBDA6D2C0, 16 bytes long.
Data: <P ‰+ö > 50 04 89 2B F6 7F 00 00 00 00 00 00 00 00 00 00
{56} normal block at 0x0000024BBDA6D900, 16 bytes long.
Data: <0 ‰+ö > 30 04 89 2B F6 7F 00 00 00 00 00 00 00 00 00 00
{55} normal block at 0x0000024BBDA6D400, 16 bytes long.
Data: <à ‰+ö > E0 02 89 2B F6 7F 00 00 00 00 00 00 00 00 00 00
{54} normal block at 0x0000024BBDA6D270, 16 bytes long.
Data: < ‰+ö > 10 04 89 2B F6 7F 00 00 00 00 00 00 00 00 00 00
{53} normal block at 0x0000024BBDA6D040, 16 bytes long.
Data: <p ‰+ö > 70 04 89 2B F6 7F 00 00 00 00 00 00 00 00 00 00
{52} normal block at 0x0000024BBDA6CF00, 16 bytes long.
Data: < À‡+ö > 18 C0 87 2B F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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