Task 38639800
| Name | cdk8_A19_A09_r0_1-QUICO_ATM_GAFF2_NAGL_cdk8-2-6-RND7677_2 |
| Workunit | 31580063 |
| Created | 1 May 2026, 1:37:28 UTC |
| Sent | 1 May 2026, 1:37:35 UTC |
| Report deadline | 6 May 2026, 1:37:35 UTC |
| Received | 2 May 2026, 8:09:47 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 621414 |
| Run time | 16 hours 30 min 45 sec |
| CPU time | 13 hours 0 min 40 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 5,159.66 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 928.76 MB |
| Peak swap size | 3.27 GB |
| Peak disk usage | 3.27 GB |
Stderr output
<core_client_version>8.2.9</core_client_version>
<![CDATA[
<stderr_txt>
17:40:00 (16408): wrapper (7.9.26016): starting
17:40:00 (16408): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A19_A09_0.pdb
QB_A19_A09_0.xml
QB_A19_A09.inpcrd
QB_A19_A09_input.yaml
QB_A19_A09.pdb
QB_A19_A09.prmtop
QB_A19_A09_sys.xml
run.bat
run.sh
17:40:03 (16408): Library/usr/bin/tar.exe exited; CPU time 0.015625
17:40:03 (16408): 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.
tar: run.log: file changed as we read it
10:09:12 (16408): C:/Windows/system32/cmd.exe exited; CPU time 46840.812500
10:09:12 (16408): 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: 688545307 bytes.
Dumping objects ->
{3835186} normal block at 0x00000251F6BD1440, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835175} normal block at 0x00000251F6BD1BB0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835164} normal block at 0x00000251F6BD1A60, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835153} normal block at 0x00000251F6BD17C0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835142} normal block at 0x00000251F6BD12F0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835111} normal block at 0x00000251F6CAC9C0, 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) : {3835098} normal block at 0x00000251F514CBD0, 8 bytes long.
Data: < õQ > 00 00 10 F5 51 02 00 00
{3833947} normal block at 0x00000251F514C720, 8 bytes long.
Data: < lÙöQ > 00 6C D9 F6 51 02 00 00
..\zip\boinc_zip.cpp(122) : {305} normal block at 0x00000251F5151530, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x00000251F514D2C0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{289} normal block at 0x00000251F5147B30, 16 bytes long.
Data: <X+ õQ > 58 2B 15 F5 51 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x00000251F5147860, 16 bytes long.
Data: <0+ õQ > 30 2B 15 F5 51 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x00000251F514D680, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{286} normal block at 0x00000251F5147810, 16 bytes long.
Data: < + õQ > 08 2B 15 F5 51 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x00000251F51477C0, 16 bytes long.
Data: <à* õQ > E0 2A 15 F5 51 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x00000251F5147360, 16 bytes long.
Data: <¸* õQ > B8 2A 15 F5 51 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x00000251F5147310, 16 bytes long.
Data: < * õQ > 90 2A 15 F5 51 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x00000251F514C010, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{281} normal block at 0x00000251F51476D0, 16 bytes long.
Data: <ÈÆ õQ > C8 C6 13 F5 51 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x00000251F514D920, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{279} normal block at 0x00000251F51472C0, 16 bytes long.
Data: < Æ õQ > A0 C6 13 F5 51 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x00000251F5147C20, 16 bytes long.
Data: <xÆ õQ > 78 C6 13 F5 51 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x00000251F5147CC0, 16 bytes long.
Data: <PÆ õQ > 50 C6 13 F5 51 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x00000251F5147D60, 16 bytes long.
Data: <(Æ õQ > 28 C6 13 F5 51 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x00000251F514CB80, 16 bytes long.
Data: < Æ õQ > 00 C6 13 F5 51 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x00000251F514CA40, 16 bytes long.
Data: <ØÅ õQ > D8 C5 13 F5 51 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x00000251F514DB00, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{271} normal block at 0x00000251F514C9F0, 16 bytes long.
Data: <°Å õQ > B0 C5 13 F5 51 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x00000251F513C5B0, 320 bytes long.
Data: <ðÉ õQ Û õQ > F0 C9 14 F5 51 02 00 00 00 DB 14 F5 51 02 00 00
{269} normal block at 0x00000251F514C950, 16 bytes long.
Data: <p* õQ > 70 2A 15 F5 51 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x00000251F514CB30, 16 bytes long.
Data: <H* õQ > 48 2A 15 F5 51 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x00000251F514D740, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{266} normal block at 0x00000251F514C900, 16 bytes long.
Data: < * õQ > 20 2A 15 F5 51 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x00000251F514D6E0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{264} normal block at 0x00000251F514C6D0, 16 bytes long.
Data: <h) õQ > 68 29 15 F5 51 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x00000251F514CCC0, 16 bytes long.
Data: <@) õQ > 40 29 15 F5 51 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x00000251F514C8B0, 16 bytes long.
Data: < ) õQ > 18 29 15 F5 51 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x00000251F514CC20, 16 bytes long.
Data: <ð( õQ > F0 28 15 F5 51 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x00000251F514CAE0, 16 bytes long.
Data: <È( õQ > C8 28 15 F5 51 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x00000251F514CE00, 16 bytes long.
Data: < ( õQ > A0 28 15 F5 51 02 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x00000251F514C860, 16 bytes long.
Data: < ¿ õQ > A0 BF 14 F5 51 02 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x00000251F514BFA0, 40 bytes long.
Data: <`È õQ ÀÉÊöQ > 60 C8 14 F5 51 02 00 00 C0 C9 CA F6 51 02 00 00
{255} normal block at 0x00000251F514CDB0, 16 bytes long.
Data: < ( õQ > 80 28 15 F5 51 02 00 00 00 00 00 00 00 00 00 00
{254} normal block at 0x00000251F514CD60, 16 bytes long.
Data: <X( õQ > 58 28 15 F5 51 02 00 00 00 00 00 00 00 00 00 00
{253} normal block at 0x00000251F514E340, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{252} normal block at 0x00000251F514C9A0, 16 bytes long.
Data: <0( õQ > 30 28 15 F5 51 02 00 00 00 00 00 00 00 00 00 00
{251} normal block at 0x00000251F5152830, 992 bytes long.
Data: < É õQ @ã õQ > A0 C9 14 F5 51 02 00 00 40 E3 14 F5 51 02 00 00
{87} normal block at 0x00000251F514D980, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{86} normal block at 0x00000251F5147C70, 16 bytes long.
Data: <À¾ õQ > C0 BE 14 F5 51 02 00 00 00 00 00 00 00 00 00 00
{85} normal block at 0x00000251F514BEC0, 40 bytes long.
Data: <p| õQ Ù õQ > 70 7C 14 F5 51 02 00 00 80 D9 14 F5 51 02 00 00
{64} normal block at 0x00000251F5147130, 16 bytes long.
Data: < êQÏö > 80 EA 51 CF F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x00000251F5146FF0, 16 bytes long.
Data: <@éQÏö > 40 E9 51 CF F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x00000251F5147E50, 16 bytes long.
Data: <øWNÏö > F8 57 4E CF F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x00000251F51470E0, 16 bytes long.
Data: <ØWNÏö > D8 57 4E CF F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x00000251F5147720, 16 bytes long.
Data: <P NÏö > 50 04 4E CF F6 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x00000251F5146FA0, 16 bytes long.
Data: <0 NÏö > 30 04 4E CF F6 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x00000251F51474F0, 16 bytes long.
Data: <à NÏö > E0 02 4E CF F6 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x00000251F5147950, 16 bytes long.
Data: < NÏö > 10 04 4E CF F6 7F 00 00 00 00 00 00 00 00 00 00
{56} normal block at 0x00000251F51471D0, 16 bytes long.
Data: <p NÏö > 70 04 4E CF F6 7F 00 00 00 00 00 00 00 00 00 00
{55} normal block at 0x00000251F5147A40, 16 bytes long.
Data: < ÀLÏö > 18 C0 4C CF F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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