Task 38613870
| Name | p38_A05_A34_r0_1-QUICO_ATM_OpenFF_p38-4-6-RND0115_0 |
| Workunit | 31566287 |
| Created | 17 Apr 2026, 3:08:39 UTC |
| Sent | 17 Apr 2026, 3:08:42 UTC |
| Report deadline | 22 Apr 2026, 3:08:42 UTC |
| Received | 18 Apr 2026, 0:45:03 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 625157 |
| Run time | 10 hours 13 min 10 sec |
| CPU time | 10 hours 13 min 5 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 9,338.09 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 719.23 MB |
| Peak swap size | 12.88 GB |
| Peak disk usage | 4.10 GB |
Stderr output
<core_client_version>8.2.9</core_client_version>
<![CDATA[
<stderr_txt>
16:31:59 (42872): wrapper (7.9.26016): starting
16:31:59 (42872): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A05_A34_0.pdb
QB_A05_A34_0.xml
QB_A05_A34.inpcrd
QB_A05_A34_input.yaml
QB_A05_A34.pdb
QB_A05_A34.prmtop
QB_A05_A34_sys.xml
run.bat
run.sh
16:32:01 (42872): Library/usr/bin/tar.exe exited; CPU time 0.015625
16:32:01 (42872): 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 'L:\BOINCProjects\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 'L:\BOINCProjects\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
02:43:36 (42872): C:/Windows/system32/cmd.exe exited; CPU time 36785.578125
02:43:36 (42872): called boinc_finish(0)
0 bytes in 0 Free Blocks.
176 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: 723182311 bytes.
Dumping objects ->
{3835254} normal block at 0x000002B124F94A00, 48 bytes long.
Data: <PATH=L:\BOINCPro> 50 41 54 48 3D 4C 3A 5C 42 4F 49 4E 43 50 72 6F
{3835243} normal block at 0x000002B126DD4980, 32 bytes long.
Data: <HOME=L:\BOINCPro> 48 4F 4D 45 3D 4C 3A 5C 42 4F 49 4E 43 50 72 6F
{3835232} normal block at 0x000002B126DD4FE0, 32 bytes long.
Data: <TMP=L:\BOINCProj> 54 4D 50 3D 4C 3A 5C 42 4F 49 4E 43 50 72 6F 6A
{3835221} normal block at 0x000002B126DD5040, 32 bytes long.
Data: <TEMP=L:\BOINCPro> 54 45 4D 50 3D 4C 3A 5C 42 4F 49 4E 43 50 72 6F
{3835210} normal block at 0x000002B126DD4AA0, 32 bytes long.
Data: <TMPDIR=L:\BOINCP> 54 4D 50 44 49 52 3D 4C 3A 5C 42 4F 49 4E 43 50
{3835179} normal block at 0x000002B124F94CA0, 48 bytes long.
Data: <PATH=L:\BOINCPro> 50 41 54 48 3D 4C 3A 5C 42 4F 49 4E 43 50 72 6F
..\api\boinc_api.cpp(309) : {3835166} normal block at 0x000002B124F8D540, 8 bytes long.
Data: < ó$± > 00 00 F3 24 B1 02 00 00
{3833955} normal block at 0x000002B124F8D450, 8 bytes long.
Data: <P9Þ&± > 50 39 DE 26 B1 02 00 00
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x000002B124F81190, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000002B124F81DF0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{293} normal block at 0x000002B124F96020, 16 bytes long.
Data: < hù$± > 18 68 F9 24 B1 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000002B124F959E0, 16 bytes long.
Data: <ðgù$± > F0 67 F9 24 B1 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000002B124F917C0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{290} normal block at 0x000002B124F96200, 16 bytes long.
Data: <Ègù$± > C8 67 F9 24 B1 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000002B124F95D00, 16 bytes long.
Data: < gù$± > A0 67 F9 24 B1 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000002B124F958F0, 16 bytes long.
Data: <xgù$± > 78 67 F9 24 B1 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000002B124F96110, 16 bytes long.
Data: <Pgù$± > 50 67 F9 24 B1 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000002B124F94D10, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{285} normal block at 0x000002B124F95C60, 16 bytes long.
Data: < ù$± > 08 09 F9 24 B1 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000002B124F90F20, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{283} normal block at 0x000002B124F960C0, 16 bytes long.
Data: <à ù$± > E0 08 F9 24 B1 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000002B124F95EE0, 16 bytes long.
Data: <¸ ù$± > B8 08 F9 24 B1 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000002B124F95E40, 16 bytes long.
Data: < ù$± > 90 08 F9 24 B1 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000002B124F95620, 16 bytes long.
Data: <h ù$± > 68 08 F9 24 B1 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000002B124F95C10, 16 bytes long.
Data: <@ ù$± > 40 08 F9 24 B1 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000002B124F958A0, 16 bytes long.
Data: < ù$± > 18 08 F9 24 B1 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000002B124F91640, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{275} normal block at 0x000002B124F962A0, 16 bytes long.
Data: <ð ù$± > F0 07 F9 24 B1 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000002B124F907F0, 320 bytes long.
Data: < bù$± @ ù$± > A0 62 F9 24 B1 02 00 00 40 16 F9 24 B1 02 00 00
{273} normal block at 0x000002B124F95CB0, 16 bytes long.
Data: <0gù$± > 30 67 F9 24 B1 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000002B124F95DF0, 16 bytes long.
Data: < gù$± > 08 67 F9 24 B1 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000002B124F90F80, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{270} normal block at 0x000002B124F955D0, 16 bytes long.
Data: <àfù$± > E0 66 F9 24 B1 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000002B124F910A0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{268} normal block at 0x000002B124F95990, 16 bytes long.
Data: <(fù$± > 28 66 F9 24 B1 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000002B124F95940, 16 bytes long.
Data: < fù$± > 00 66 F9 24 B1 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000002B124F95760, 16 bytes long.
Data: <Øeù$± > D8 65 F9 24 B1 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000002B124F95B70, 16 bytes long.
Data: <°eù$± > B0 65 F9 24 B1 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000002B124F96340, 16 bytes long.
Data: < eù$± > 88 65 F9 24 B1 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000002B124F95800, 16 bytes long.
Data: <`eù$± > 60 65 F9 24 B1 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000002B124F95B20, 16 bytes long.
Data: <ÐNù$± > D0 4E F9 24 B1 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000002B124F94ED0, 40 bytes long.
Data: < [ù$±  Lù$± > 20 5B F9 24 B1 02 00 00 A0 4C F9 24 B1 02 00 00
{259} normal block at 0x000002B124F95BC0, 16 bytes long.
Data: <@eù$± > 40 65 F9 24 B1 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000002B124F95580, 16 bytes long.
Data: < eù$± > 18 65 F9 24 B1 02 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x000002B124F91520, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{256} normal block at 0x000002B124F95A30, 16 bytes long.
Data: <ðdù$± > F0 64 F9 24 B1 02 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x000002B124F964F0, 992 bytes long.
Data: <0Zù$± ù$± > 30 5A F9 24 B1 02 00 00 20 15 F9 24 B1 02 00 00
{91} normal block at 0x000002B124F91760, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{90} normal block at 0x000002B124F8DB80, 16 bytes long.
Data: < ã÷$± > 80 E3 F7 24 B1 02 00 00 00 00 00 00 00 00 00 00
{89} normal block at 0x000002B124F7E380, 40 bytes long.
Data: < Ûø$± ` ù$± > 80 DB F8 24 B1 02 00 00 60 17 F9 24 B1 02 00 00
{68} normal block at 0x000002B124F8DA40, 16 bytes long.
Data: < êçð÷ > 80 EA E7 F0 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000002B124F8D680, 16 bytes long.
Data: <@éçð÷ > 40 E9 E7 F0 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000002B124F8DFE0, 16 bytes long.
Data: <øWäð÷ > F8 57 E4 F0 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000002B124F8DDB0, 16 bytes long.
Data: <ØWäð÷ > D8 57 E4 F0 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000002B124F8D0E0, 16 bytes long.
Data: <P äð÷ > 50 04 E4 F0 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000002B124F8D130, 16 bytes long.
Data: <0 äð÷ > 30 04 E4 F0 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000002B124F8D9A0, 16 bytes long.
Data: <à äð÷ > E0 02 E4 F0 F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000002B124F8DF90, 16 bytes long.
Data: < äð÷ > 10 04 E4 F0 F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000002B124F8DEF0, 16 bytes long.
Data: <p äð÷ > 70 04 E4 F0 F7 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x000002B124F8D590, 16 bytes long.
Data: < Àâð÷ > 18 C0 E2 F0 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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