Task 38644975
| Name | cdk8_A26_A32_r0_2-QUICO_ATM_OpenFF23_NAGL_cdk8-5-6-RND6516_1 |
| Workunit | 31590149 |
| Created | 11 May 2026, 3:49:31 UTC |
| Sent | 11 May 2026, 3:49:33 UTC |
| Report deadline | 16 May 2026, 3:49:33 UTC |
| Received | 11 May 2026, 9:16:05 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 156955 |
| Run time | 5 hours 22 min 44 sec |
| CPU time | 5 hours 14 min 57 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 22,244.47 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 961.70 MB |
| Peak swap size | 8.88 GB |
| Peak disk usage | 3.26 GB |
Stderr output
<core_client_version>7.24.1</core_client_version>
<![CDATA[
<stderr_txt>
05:54:24 (10236): wrapper (7.9.26016): starting
05:54:24 (10236): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A26_A32_0.pdb
QB_A26_A32_0.xml
QB_A26_A32.inpcrd
QB_A26_A32_input.yaml
QB_A26_A32.pdb
QB_A26_A32.prmtop
QB_A26_A32_sys.xml
run.bat
run.sh
05:54:27 (10236): Library/usr/bin/tar.exe exited; CPU time 0.000000
05:54:27 (10236): 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 'D:\Boinc_data\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 'D:\Boinc_data\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
11:15:21 (10236): C:/Windows/system32/cmd.exe exited; CPU time 18897.968750
11:15:21 (10236): called boinc_finish(0)
0 bytes in 0 Free Blocks.
380 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: 404063227 bytes.
Dumping objects ->
{3835307} normal block at 0x00000169BABC6480, 48 bytes long.
Data: <PATH=D:\Boinc_da> 50 41 54 48 3D 44 3A 5C 42 6F 69 6E 63 5F 64 61
{3835296} normal block at 0x00000169BC824C30, 32 bytes long.
Data: <HOME=D:\Boinc_da> 48 4F 4D 45 3D 44 3A 5C 42 6F 69 6E 63 5F 64 61
{3835285} normal block at 0x00000169BC825890, 32 bytes long.
Data: <TMP=D:\Boinc_dat> 54 4D 50 3D 44 3A 5C 42 6F 69 6E 63 5F 64 61 74
{3835274} normal block at 0x00000169BC825CB0, 32 bytes long.
Data: <TEMP=D:\Boinc_da> 54 45 4D 50 3D 44 3A 5C 42 6F 69 6E 63 5F 64 61
{3835263} normal block at 0x00000169BC8260D0, 32 bytes long.
Data: <TMPDIR=D:\Boinc_> 54 4D 50 44 49 52 3D 44 3A 5C 42 6F 69 6E 63 5F
{3835232} normal block at 0x00000169BABC7050, 48 bytes long.
Data: <PATH=D:\Boinc_da> 50 41 54 48 3D 44 3A 5C 42 6F 69 6E 63 5F 64 61
{3835221} normal block at 0x00000169BC7EDD70, 102 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) : {3835218} normal block at 0x00000169BAB96EC0, 8 bytes long.
Data: < °ºi > 00 00 B0 BA 69 01 00 00
{3834570} normal block at 0x00000169BC7EE2F0, 102 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833957} normal block at 0x00000169BAB97050, 8 bytes long.
Data: <°än¼i > B0 E4 6E BC 69 01 00 00
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x00000169BABA1AB0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x00000169BAB9D690, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{294} normal block at 0x00000169BABA3450, 16 bytes long.
Data: <ØAººi > D8 41 BA BA 69 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x00000169BABA3400, 16 bytes long.
Data: <°Aººi > B0 41 BA BA 69 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x00000169BAB9C510, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{291} normal block at 0x00000169BABA33B0, 16 bytes long.
Data: < Aººi > 88 41 BA BA 69 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x00000169BABA3360, 16 bytes long.
Data: <`Aººi > 60 41 BA BA 69 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x00000169BABA3310, 16 bytes long.
Data: <8Aººi > 38 41 BA BA 69 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x00000169BABA32C0, 16 bytes long.
Data: < Aººi > 10 41 BA BA 69 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x00000169BAB9E060, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{286} normal block at 0x00000169BABA2B90, 16 bytes long.
Data: < )ººi > 88 29 BA BA 69 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x00000169BAB9BEB0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{284} normal block at 0x00000169BABA34A0, 16 bytes long.
Data: <`)ººi > 60 29 BA BA 69 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x00000169BABA3270, 16 bytes long.
Data: <8)ººi > 38 29 BA BA 69 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x00000169BABA2CD0, 16 bytes long.
Data: < )ººi > 10 29 BA BA 69 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x00000169BABA3810, 16 bytes long.
Data: <è(ººi > E8 28 BA BA 69 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x00000169BABA3220, 16 bytes long.
Data: <À(ººi > C0 28 BA BA 69 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x00000169BABA3590, 16 bytes long.
Data: < (ººi > 98 28 BA BA 69 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x00000169BAB9C030, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{276} normal block at 0x00000169BABA2F50, 16 bytes long.
Data: <p(ººi > 70 28 BA BA 69 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x00000169BABA2870, 320 bytes long.
Data: <P/ººi 0À¹ºi > 50 2F BA BA 69 01 00 00 30 C0 B9 BA 69 01 00 00
{274} normal block at 0x00000169BABA2F00, 16 bytes long.
Data: <ð@ººi > F0 40 BA BA 69 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x00000169BABA2C80, 16 bytes long.
Data: <È@ººi > C8 40 BA BA 69 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x00000169BAB9C390, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{271} normal block at 0x00000169BABA2B40, 16 bytes long.
Data: < @ººi > A0 40 BA BA 69 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x00000169BAB9C450, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{269} normal block at 0x00000169BABA2FF0, 16 bytes long.
Data: <è?ººi > E8 3F BA BA 69 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x00000169BABA3A40, 16 bytes long.
Data: <À?ººi > C0 3F BA BA 69 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x00000169BABA37C0, 16 bytes long.
Data: < ?ººi > 98 3F BA BA 69 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x00000169BABA2EB0, 16 bytes long.
Data: <p?ººi > 70 3F BA BA 69 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x00000169BABA2E10, 16 bytes long.
Data: <H?ººi > 48 3F BA BA 69 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x00000169BABA36D0, 16 bytes long.
Data: < ?ººi > 20 3F BA BA 69 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x00000169BABA3680, 16 bytes long.
Data: <ðß¹ºi > F0 DF B9 BA 69 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x00000169BAB9DFF0, 40 bytes long.
Data: < 6ººi Pp¼ºi > 80 36 BA BA 69 01 00 00 50 70 BC BA 69 01 00 00
{260} normal block at 0x00000169BABA2AF0, 16 bytes long.
Data: < ?ººi > 00 3F BA BA 69 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x00000169BABA31D0, 16 bytes long.
Data: <Ø>ººi > D8 3E BA BA 69 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x00000169BAB9BF10, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{257} normal block at 0x00000169BABA3130, 16 bytes long.
Data: <°>ººi > B0 3E BA BA 69 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x00000169BABA3EB0, 992 bytes long.
Data: <01ººi ¿¹ºi > 30 31 BA BA 69 01 00 00 10 BF B9 BA 69 01 00 00
{92} normal block at 0x00000169BAB9C0F0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{91} normal block at 0x00000169BAB978C0, 16 bytes long.
Data: < Û¹ºi > 90 DB B9 BA 69 01 00 00 00 00 00 00 00 00 00 00
{90} normal block at 0x00000169BAB9DB90, 40 bytes long.
Data: <Àx¹ºi ðÀ¹ºi > C0 78 B9 BA 69 01 00 00 F0 C0 B9 BA 69 01 00 00
{69} normal block at 0x00000169BAB96DD0, 16 bytes long.
Data: < êåhö > 80 EA E5 68 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x00000169BAB97B40, 16 bytes long.
Data: <@éåhö > 40 E9 E5 68 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x00000169BAB97AF0, 16 bytes long.
Data: <øWâhö > F8 57 E2 68 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x00000169BAB97500, 16 bytes long.
Data: <ØWâhö > D8 57 E2 68 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x00000169BAB96CE0, 16 bytes long.
Data: <P âhö > 50 04 E2 68 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x00000169BAB97B90, 16 bytes long.
Data: <0 âhö > 30 04 E2 68 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x00000169BAB97190, 16 bytes long.
Data: <à âhö > E0 02 E2 68 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x00000169BAB97780, 16 bytes long.
Data: < âhö > 10 04 E2 68 F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x00000169BAB97AA0, 16 bytes long.
Data: <p âhö > 70 04 E2 68 F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x00000169BAB96C40, 16 bytes long.
Data: < Ààhö > 18 C0 E0 68 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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