Task 38613772
| Name | CDK2_A08_A10_r0_1-QUICO_ATM_OpenFF_CDK2-4-6-RND6687_0 |
| Workunit | 31566197 |
| Created | 17 Apr 2026, 1:28:27 UTC |
| Sent | 17 Apr 2026, 1:28:27 UTC |
| Report deadline | 22 Apr 2026, 1:28:27 UTC |
| Received | 17 Apr 2026, 20:32:28 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 651975 |
| Run time | 4 hours 42 min 55 sec |
| CPU time | 4 hours 31 min 12 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 29,685.94 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 843.06 MB |
| Peak swap size | 13.21 GB |
| Peak disk usage | 3.78 GB |
Stderr output
<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
17:38:57 (39884): wrapper (7.9.26016): starting
17:38:57 (39884): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A08_A10_0.pdb
QB_A08_A10_0.xml
QB_A08_A10.inpcrd
QB_A08_A10_input.yaml
QB_A08_A10.pdb
QB_A08_A10.prmtop
QB_A08_A10_sys.xml
run.bat
run.sh
17:38:59 (39884): Library/usr/bin/tar.exe exited; CPU time 0.000000
17:38:59 (39884): 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\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 'c:\Boinc\004\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
22:31:43 (39884): C:/Windows/system32/cmd.exe exited; CPU time 16272.406250
22:31:43 (39884): 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: 582762429 bytes.
Dumping objects ->
{3835553} normal block at 0x000001F3A6CC02D0, 48 bytes long.
Data: <PATH=c:\boinc\00> 50 41 54 48 3D 63 3A 5C 62 6F 69 6E 63 5C 30 30
{3835542} normal block at 0x000001F3A89BF3D0, 32 bytes long.
Data: <HOME=c:\boinc\00> 48 4F 4D 45 3D 63 3A 5C 62 6F 69 6E 63 5C 30 30
{3835531} normal block at 0x000001F3A89BF730, 32 bytes long.
Data: <TMP=c:\boinc\004> 54 4D 50 3D 63 3A 5C 62 6F 69 6E 63 5C 30 30 34
{3835520} normal block at 0x000001F3A89C0930, 32 bytes long.
Data: <TEMP=c:\boinc\00> 54 45 4D 50 3D 63 3A 5C 62 6F 69 6E 63 5C 30 30
{3835509} normal block at 0x000001F3A89BFB50, 32 bytes long.
Data: <TMPDIR=c:\boinc\> 54 4D 50 44 49 52 3D 63 3A 5C 62 6F 69 6E 63 5C
{3835478} normal block at 0x000001F3A6CC0260, 48 bytes long.
Data: <PATH=c:\boinc\00> 50 41 54 48 3D 63 3A 5C 62 6F 69 6E 63 5C 30 30
{3835467} normal block at 0x000001F3A6D29C80, 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) : {3835464} normal block at 0x000001F3A6CBD8E0, 8 bytes long.
Data: < Ŧó > 00 00 C5 A6 F3 01 00 00
{3834689} normal block at 0x000001F3A6D2A230, 140 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833961} normal block at 0x000001F3A6CBD7F0, 8 bytes long.
Data: < ×ʦó > 80 D7 CA A6 F3 01 00 00
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x000001F3A6CB11B0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000001F3A6CB1D80, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{296} normal block at 0x000001F3A6CC5B70, 16 bytes long.
Data: <8f̦ó > 38 66 CC A6 F3 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001F3A6CC5D00, 16 bytes long.
Data: < f̦ó > 10 66 CC A6 F3 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001F3A6CC1120, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{293} normal block at 0x000001F3A6CC6070, 16 bytes long.
Data: <èe̦ó > E8 65 CC A6 F3 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001F3A6CC5990, 16 bytes long.
Data: <Àe̦ó > C0 65 CC A6 F3 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001F3A6CC5FD0, 16 bytes long.
Data: < e̦ó > 98 65 CC A6 F3 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001F3A6CC5DF0, 16 bytes long.
Data: <pe̦ó > 70 65 CC A6 F3 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001F3A6CC06C0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{288} normal block at 0x000001F3A6CC53A0, 16 bytes long.
Data: <¸ ˦ó > B8 07 CB A6 F3 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001F3A6CC15A0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{286} normal block at 0x000001F3A6CC6160, 16 bytes long.
Data: < ˦ó > 90 07 CB A6 F3 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001F3A6CC5620, 16 bytes long.
Data: <h ˦ó > 68 07 CB A6 F3 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001F3A6CC5940, 16 bytes long.
Data: <@ ˦ó > 40 07 CB A6 F3 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001F3A6CC5AD0, 16 bytes long.
Data: < ˦ó > 18 07 CB A6 F3 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001F3A6CC5F80, 16 bytes long.
Data: <ð ˦ó > F0 06 CB A6 F3 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001F3A6CC5350, 16 bytes long.
Data: <È Ë¦ó > C8 06 CB A6 F3 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001F3A6CC0D00, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{278} normal block at 0x000001F3A6CC5CB0, 16 bytes long.
Data: <  ˦ó > A0 06 CB A6 F3 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001F3A6CB06A0, 320 bytes long.
Data: <°\̦ó ̦ó > B0 5C CC A6 F3 01 00 00 00 0D CC A6 F3 01 00 00
{276} normal block at 0x000001F3A6CC54E0, 16 bytes long.
Data: <Pe̦ó > 50 65 CC A6 F3 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001F3A6CC5A80, 16 bytes long.
Data: <(e̦ó > 28 65 CC A6 F3 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001F3A6CC1840, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{273} normal block at 0x000001F3A6CC5B20, 16 bytes long.
Data: < e̦ó > 00 65 CC A6 F3 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001F3A6CC1780, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{271} normal block at 0x000001F3A6CC59E0, 16 bytes long.
Data: <Hd̦ó > 48 64 CC A6 F3 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001F3A6CC5C10, 16 bytes long.
Data: < d̦ó > 20 64 CC A6 F3 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001F3A6CC5BC0, 16 bytes long.
Data: <øc̦ó > F8 63 CC A6 F3 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001F3A6CC5C60, 16 bytes long.
Data: <Ðc̦ó > D0 63 CC A6 F3 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001F3A6CC5710, 16 bytes long.
Data: <¨c̦ó > A8 63 CC A6 F3 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001F3A6CC5F30, 16 bytes long.
Data: < c̦ó > 80 63 CC A6 F3 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001F3A6CC62A0, 16 bytes long.
Data: <° ̦ó > B0 03 CC A6 F3 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001F3A6CC03B0, 40 bytes long.
Data: < b̦ó ` ̦ó > A0 62 CC A6 F3 01 00 00 60 02 CC A6 F3 01 00 00
{262} normal block at 0x000001F3A6CC5E90, 16 bytes long.
Data: <`c̦ó > 60 63 CC A6 F3 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001F3A6CC5490, 16 bytes long.
Data: <8c̦ó > 38 63 CC A6 F3 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001F3A6CC1480, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{259} normal block at 0x000001F3A6CC5440, 16 bytes long.
Data: < c̦ó > 10 63 CC A6 F3 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001F3A6CC6310, 992 bytes long.
Data: <@Țó ̦ó > 40 54 CC A6 F3 01 00 00 80 14 CC A6 F3 01 00 00
{94} normal block at 0x000001F3A6CC13C0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{93} normal block at 0x000001F3A6CBD070, 16 bytes long.
Data: < äʦó > 10 E4 CA A6 F3 01 00 00 00 00 00 00 00 00 00 00
{92} normal block at 0x000001F3A6CAE410, 40 bytes long.
Data: <pÐ˦ó À ̦ó > 70 D0 CB A6 F3 01 00 00 C0 13 CC A6 F3 01 00 00
{71} normal block at 0x000001F3A6CBDE80, 16 bytes long.
Data: < êì ÷ > 80 EA EC 17 F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000001F3A6CBDA70, 16 bytes long.
Data: <@éì ÷ > 40 E9 EC 17 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001F3A6CBD4D0, 16 bytes long.
Data: <øWé ÷ > F8 57 E9 17 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001F3A6CBD3E0, 16 bytes long.
Data: <ØWé ÷ > D8 57 E9 17 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001F3A6CBD660, 16 bytes long.
Data: <P é ÷ > 50 04 E9 17 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001F3A6CBD700, 16 bytes long.
Data: <0 é ÷ > 30 04 E9 17 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001F3A6CBD390, 16 bytes long.
Data: <à é ÷ > E0 02 E9 17 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001F3A6CBDC50, 16 bytes long.
Data: < é ÷ > 10 04 E9 17 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001F3A6CBDD90, 16 bytes long.
Data: <p é ÷ > 70 04 E9 17 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001F3A6CBDE30, 16 bytes long.
Data: < Àç ÷ > 18 C0 E7 17 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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