Task 38610086
| Name | tnks2_A25_A24_r0_3-QUICO_ATM_GAFF2_NAGL_TNKS2-2-6-RND1907_2 |
| Workunit | 31560876 |
| Created | 15 Apr 2026, 6:11:55 UTC |
| Sent | 15 Apr 2026, 6:11:58 UTC |
| Report deadline | 20 Apr 2026, 6:11:58 UTC |
| Received | 15 Apr 2026, 9:17:27 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 541192 |
| Run time | 2 hours 29 min 41 sec |
| CPU time | 2 hours 17 min 25 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 52,233.50 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 563.39 MB |
| Peak swap size | 12.78 GB |
| Peak disk usage | 2.95 GB |
Stderr output
<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
08:48:32 (42992): wrapper (7.9.26016): starting
08:48:32 (42992): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A25_A24_0.pdb
QB_A25_A24_0.xml
QB_A25_A24.inpcrd
QB_A25_A24_input.yaml
QB_A25_A24.pdb
QB_A25_A24.prmtop
QB_A25_A24_sys.xml
run.bat
run.sh
08:48:33 (42992): Library/usr/bin/tar.exe exited; CPU time 0.015625
08:48:33 (42992): 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 'J:\BOINC\data\slots\31\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 'J:\BOINC\data\slots\31\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
11:16:41 (42992): C:/Windows/system32/cmd.exe exited; CPU time 8245.906250
11:16:41 (42992): called boinc_finish(0)
0 bytes in 0 Free Blocks.
346 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: 197739756 bytes.
Dumping objects ->
{3835584} normal block at 0x0000029BEDD65E70, 48 bytes long.
Data: <PATH=J:\BOINC\da> 50 41 54 48 3D 4A 3A 5C 42 4F 49 4E 43 5C 64 61
{3835573} normal block at 0x0000029BEFB16A80, 32 bytes long.
Data: <HOME=J:\BOINC\da> 48 4F 4D 45 3D 4A 3A 5C 42 4F 49 4E 43 5C 64 61
{3835562} normal block at 0x0000029BEFB16240, 32 bytes long.
Data: <TMP=J:\BOINC\dat> 54 4D 50 3D 4A 3A 5C 42 4F 49 4E 43 5C 64 61 74
{3835551} normal block at 0x0000029BEFB16CC0, 32 bytes long.
Data: <TEMP=J:\BOINC\da> 54 45 4D 50 3D 4A 3A 5C 42 4F 49 4E 43 5C 64 61
{3835540} normal block at 0x0000029BEFB16780, 32 bytes long.
Data: <TMPDIR=J:\BOINC\> 54 4D 50 44 49 52 3D 4A 3A 5C 42 4F 49 4E 43 5C
{3835509} normal block at 0x0000029BEDD65D20, 48 bytes long.
Data: <PATH=J:\BOINC\da> 50 41 54 48 3D 4A 3A 5C 42 4F 49 4E 43 5C 64 61
{3835498} normal block at 0x0000029BEFADD990, 85 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) : {3835495} normal block at 0x0000029BEDD5A0A0, 8 bytes long.
Data: < Òí› > 00 00 D2 ED 9B 02 00 00
{3834715} normal block at 0x0000029BEFADDAD0, 85 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833989} normal block at 0x0000029BEDD5A2D0, 8 bytes long.
Data: <páÔí› > 70 E1 D4 ED 9B 02 00 00
..\zip\boinc_zip.cpp(122) : {326} normal block at 0x0000029BEDD51CE0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{311} normal block at 0x0000029BEDD52920, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{310} normal block at 0x0000029BEDD67420, 16 bytes long.
Data: < |Öí› > 18 7C D6 ED 9B 02 00 00 00 00 00 00 00 00 00 00
{309} normal block at 0x0000029BEDD67100, 16 bytes long.
Data: <ð{Öí› > F0 7B D6 ED 9B 02 00 00 00 00 00 00 00 00 00 00
{308} normal block at 0x0000029BEDD60750, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{307} normal block at 0x0000029BEDD67600, 16 bytes long.
Data: <È{Öí› > C8 7B D6 ED 9B 02 00 00 00 00 00 00 00 00 00 00
{306} normal block at 0x0000029BEDD67060, 16 bytes long.
Data: < {Öí› > A0 7B D6 ED 9B 02 00 00 00 00 00 00 00 00 00 00
{305} normal block at 0x0000029BEDD66AC0, 16 bytes long.
Data: <x{Öí› > 78 7B D6 ED 9B 02 00 00 00 00 00 00 00 00 00 00
{304} normal block at 0x0000029BEDD67510, 16 bytes long.
Data: <P{Öí› > 50 7B D6 ED 9B 02 00 00 00 00 00 00 00 00 00 00
{303} normal block at 0x0000029BEDD65D90, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{302} normal block at 0x0000029BEDD67010, 16 bytes long.
Data: < Õí› > 88 08 D5 ED 9B 02 00 00 00 00 00 00 00 00 00 00
{301} normal block at 0x0000029BEDD60C90, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{300} normal block at 0x0000029BEDD670B0, 16 bytes long.
Data: <` Õí› > 60 08 D5 ED 9B 02 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x0000029BEDD669D0, 16 bytes long.
Data: <8 Õí› > 38 08 D5 ED 9B 02 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x0000029BEDD66930, 16 bytes long.
Data: < Õí› > 10 08 D5 ED 9B 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x0000029BEDD66E30, 16 bytes long.
Data: <è Õí› > E8 07 D5 ED 9B 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000029BEDD66A70, 16 bytes long.
Data: <À Õí› > C0 07 D5 ED 9B 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000029BEDD66A20, 16 bytes long.
Data: < Õí› > 98 07 D5 ED 9B 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000029BEDD61050, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{292} normal block at 0x0000029BEDD66DE0, 16 bytes long.
Data: <p Õí› > 70 07 D5 ED 9B 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000029BEDD50770, 320 bytes long.
Data: <àmÖí› P Öí› > E0 6D D6 ED 9B 02 00 00 50 10 D6 ED 9B 02 00 00
{290} normal block at 0x0000029BEDD66FC0, 16 bytes long.
Data: <0{Öí› > 30 7B D6 ED 9B 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000029BEDD671A0, 16 bytes long.
Data: < {Öí› > 08 7B D6 ED 9B 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000029BEDD60ED0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{287} normal block at 0x0000029BEDD66980, 16 bytes long.
Data: <àzÖí› > E0 7A D6 ED 9B 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000029BEDD607B0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{285} normal block at 0x0000029BEDD66BB0, 16 bytes long.
Data: <(zÖí› > 28 7A D6 ED 9B 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000029BEDD66B10, 16 bytes long.
Data: < zÖí› > 00 7A D6 ED 9B 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000029BEDD67830, 16 bytes long.
Data: <ØyÖí› > D8 79 D6 ED 9B 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000029BEDD66D90, 16 bytes long.
Data: <°yÖí› > B0 79 D6 ED 9B 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000029BEDD66D40, 16 bytes long.
Data: < yÖí› > 88 79 D6 ED 9B 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000029BEDD66B60, 16 bytes long.
Data: <`yÖí› > 60 79 D6 ED 9B 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000029BEDD67880, 16 bytes long.
Data: <à^Öí› > E0 5E D6 ED 9B 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000029BEDD65EE0, 40 bytes long.
Data: < xÖí› ]Öí› > 80 78 D6 ED 9B 02 00 00 20 5D D6 ED 9B 02 00 00
{276} normal block at 0x0000029BEDD671F0, 16 bytes long.
Data: <@yÖí› > 40 79 D6 ED 9B 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000029BEDD66CF0, 16 bytes long.
Data: < yÖí› > 18 79 D6 ED 9B 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000029BEDD60990, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{273} normal block at 0x0000029BEDD677E0, 16 bytes long.
Data: <ðxÖí› > F0 78 D6 ED 9B 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000029BEDD678F0, 992 bytes long.
Data: <àwÖí› Öí› > E0 77 D6 ED 9B 02 00 00 90 09 D6 ED 9B 02 00 00
{108} normal block at 0x0000029BEDD60C30, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{107} normal block at 0x0000029BEDD5A780, 16 bytes long.
Data: <@ÝÔí› > 40 DD D4 ED 9B 02 00 00 00 00 00 00 00 00 00 00
{106} normal block at 0x0000029BEDD4DD40, 40 bytes long.
Data: < §Õí› 0 Öí› > 80 A7 D5 ED 9B 02 00 00 30 0C D6 ED 9B 02 00 00
{85} normal block at 0x0000029BEDD5A910, 16 bytes long.
Data: < êq¡ö > 80 EA 71 A1 F6 7F 00 00 00 00 00 00 00 00 00 00
{84} normal block at 0x0000029BEDD59FB0, 16 bytes long.
Data: <@éq¡ö > 40 E9 71 A1 F6 7F 00 00 00 00 00 00 00 00 00 00
{83} normal block at 0x0000029BEDD5A8C0, 16 bytes long.
Data: <øWn¡ö > F8 57 6E A1 F6 7F 00 00 00 00 00 00 00 00 00 00
{82} normal block at 0x0000029BEDD59EC0, 16 bytes long.
Data: <ØWn¡ö > D8 57 6E A1 F6 7F 00 00 00 00 00 00 00 00 00 00
{81} normal block at 0x0000029BEDD5A4B0, 16 bytes long.
Data: <P n¡ö > 50 04 6E A1 F6 7F 00 00 00 00 00 00 00 00 00 00
{80} normal block at 0x0000029BEDD59F60, 16 bytes long.
Data: <0 n¡ö > 30 04 6E A1 F6 7F 00 00 00 00 00 00 00 00 00 00
{79} normal block at 0x0000029BEDD59E20, 16 bytes long.
Data: <à n¡ö > E0 02 6E A1 F6 7F 00 00 00 00 00 00 00 00 00 00
{78} normal block at 0x0000029BEDD5AB40, 16 bytes long.
Data: < n¡ö > 10 04 6E A1 F6 7F 00 00 00 00 00 00 00 00 00 00
{77} normal block at 0x0000029BEDD59C40, 16 bytes long.
Data: <p n¡ö > 70 04 6E A1 F6 7F 00 00 00 00 00 00 00 00 00 00
{76} normal block at 0x0000029BEDD59DD0, 16 bytes long.
Data: < Àl¡ö > 18 C0 6C A1 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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