Task 38607390
| Name | p38_A27_A15_r0_5-QUICO_ATM_GAFF2_NAGL_p38-3-6-RND8969_2 |
| Workunit | 31560850 |
| Created | 14 Apr 2026, 10:06:47 UTC |
| Sent | 14 Apr 2026, 10:07:00 UTC |
| Report deadline | 19 Apr 2026, 10:07:00 UTC |
| Received | 14 Apr 2026, 15:02:59 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 617454 |
| Run time | 4 hours 54 min 5 sec |
| CPU time | 4 hours 40 min 1 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 37,179.72 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 641.37 MB |
| Peak swap size | 8.49 GB |
| Peak disk usage | 3.08 GB |
Stderr output
<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
12:09:42 (4064): wrapper (7.9.26016): starting
12:09:42 (4064): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A27_A15_0.pdb
QB_A27_A15_0.xml
QB_A27_A15.inpcrd
QB_A27_A15_input.yaml
QB_A27_A15.pdb
QB_A27_A15.prmtop
QB_A27_A15_sys.xml
run.bat
run.sh
12:09:45 (4064): Library/usr/bin/tar.exe exited; CPU time 0.015625
12:09:45 (4064): 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\4\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\4\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
tar: r*/*.dcd: Cannot stat: No such file or directory
tar: Exiting with failure status due to previous errors
17:02:16 (4064): C:/Windows/system32/cmd.exe exited; CPU time 16801.296875
17:02:16 (4064): called boinc_finish(0)
0 bytes in 0 Free Blocks.
458 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: 310479951 bytes.
Dumping objects ->
{3835280} normal block at 0x000001D9E257CA40, 48 bytes long.
Data: <PATH=D:\Boinc\Da> 50 41 54 48 3D 44 3A 5C 42 6F 69 6E 63 5C 44 61
{3835269} normal block at 0x000001D9E4254260, 32 bytes long.
Data: <HOME=D:\Boinc\Da> 48 4F 4D 45 3D 44 3A 5C 42 6F 69 6E 63 5C 44 61
{3835258} normal block at 0x000001D9E4254F20, 32 bytes long.
Data: <TMP=D:\Boinc\Dat> 54 4D 50 3D 44 3A 5C 42 6F 69 6E 63 5C 44 61 74
{3835247} normal block at 0x000001D9E4254B60, 32 bytes long.
Data: <TEMP=D:\Boinc\Da> 54 45 4D 50 3D 44 3A 5C 42 6F 69 6E 63 5C 44 61
{3835236} normal block at 0x000001D9E42555E0, 32 bytes long.
Data: <TMPDIR=D:\Boinc\> 54 4D 50 44 49 52 3D 44 3A 5C 42 6F 69 6E 63 5C
{3835205} normal block at 0x000001D9E257C420, 48 bytes long.
Data: <PATH=D:\Boinc\Da> 50 41 54 48 3D 44 3A 5C 42 6F 69 6E 63 5C 44 61
{3835194} normal block at 0x000001D9E25B09F0, 141 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) : {3835191} normal block at 0x000001D9E254E0B0, 8 bytes long.
Data: < PâÙ > 00 00 50 E2 D9 01 00 00
{3834568} normal block at 0x000001D9E25B01D0, 141 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 0x000001D9E254DAC0, 8 bytes long.
Data: <pp&äÙ > 70 70 26 E4 D9 01 00 00
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x000001D9E25449C0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001D9E2545D10, 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 0x000001D9E25594F0, 16 bytes long.
Data: < UâÙ > 88 9D 55 E2 D9 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001D9E2558E60, 16 bytes long.
Data: <` UâÙ > 60 9D 55 E2 D9 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001D9E2554FC0, 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 0x000001D9E2559130, 16 bytes long.
Data: <8 UâÙ > 38 9D 55 E2 D9 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001D9E2559590, 16 bytes long.
Data: < UâÙ > 10 9D 55 E2 D9 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001D9E2558D70, 16 bytes long.
Data: <èœUâÙ > E8 9C 55 E2 D9 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001D9E2558B40, 16 bytes long.
Data: <ÀœUâÙ > C0 9C 55 E2 D9 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001D9E25532E0, 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 0x000001D9E2558FA0, 16 bytes long.
Data: <h1TâÙ > 68 31 54 E2 D9 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001D9E2554420, 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 0x000001D9E2559950, 16 bytes long.
Data: <@1TâÙ > 40 31 54 E2 D9 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001D9E2558E10, 16 bytes long.
Data: < 1TâÙ > 18 31 54 E2 D9 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001D9E2559810, 16 bytes long.
Data: <ð0TâÙ > F0 30 54 E2 D9 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001D9E2559770, 16 bytes long.
Data: <È0TâÙ > C8 30 54 E2 D9 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001D9E2559270, 16 bytes long.
Data: < 0TâÙ > A0 30 54 E2 D9 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001D9E2559220, 16 bytes long.
Data: <x0TâÙ > 78 30 54 E2 D9 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001D9E2554F60, 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 0x000001D9E2559040, 16 bytes long.
Data: <P0TâÙ > 50 30 54 E2 D9 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001D9E2543050, 320 bytes long.
Data: <@ UâÙ `OUâÙ > 40 90 55 E2 D9 01 00 00 60 4F 55 E2 D9 01 00 00
{274} normal block at 0x000001D9E2558AA0, 16 bytes long.
Data: < œUâÙ > A0 9C 55 E2 D9 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001D9E2559400, 16 bytes long.
Data: <xœUâÙ > 78 9C 55 E2 D9 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001D9E2554D20, 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 0x000001D9E2558C80, 16 bytes long.
Data: <PœUâÙ > 50 9C 55 E2 D9 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001D9E25543C0, 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 0x000001D9E2559720, 16 bytes long.
Data: < ›UâÙ > 98 9B 55 E2 D9 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001D9E25599F0, 16 bytes long.
Data: <p›UâÙ > 70 9B 55 E2 D9 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001D9E2559310, 16 bytes long.
Data: <H›UâÙ > 48 9B 55 E2 D9 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001D9E25597C0, 16 bytes long.
Data: < ›UâÙ > 20 9B 55 E2 D9 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001D9E25593B0, 16 bytes long.
Data: <øšUâÙ > F8 9A 55 E2 D9 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001D9E25591D0, 16 bytes long.
Data: <КUâÙ > D0 9A 55 E2 D9 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001D9E25592C0, 16 bytes long.
Data: <À3UâÙ > C0 33 55 E2 D9 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001D9E25533C0, 40 bytes long.
Data: <À’UâÙ ÄWâÙ > C0 92 55 E2 D9 01 00 00 20 C4 57 E2 D9 01 00 00
{260} normal block at 0x000001D9E25596D0, 16 bytes long.
Data: <°šUâÙ > B0 9A 55 E2 D9 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001D9E2558C30, 16 bytes long.
Data: < šUâÙ > 88 9A 55 E2 D9 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001D9E2554CC0, 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 0x000001D9E2559180, 16 bytes long.
Data: <`šUâÙ > 60 9A 55 E2 D9 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x000001D9E2559A60, 992 bytes long.
Data: < ‘UâÙ ÀLUâÙ > 80 91 55 E2 D9 01 00 00 C0 4C 55 E2 D9 01 00 00
{92} normal block at 0x000001D9E2554780, 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 0x000001D9E254DF70, 16 bytes long.
Data: < .UâÙ > 80 2E 55 E2 D9 01 00 00 00 00 00 00 00 00 00 00
{90} normal block at 0x000001D9E2552E80, 40 bytes long.
Data: <pßTâÙ GUâÙ > 70 DF 54 E2 D9 01 00 00 80 47 55 E2 D9 01 00 00
{69} normal block at 0x000001D9E254E650, 16 bytes long.
Data: < êÝ»÷ > 80 EA DD BB F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001D9E254DED0, 16 bytes long.
Data: <@éÝ»÷ > 40 E9 DD BB F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001D9E254DD90, 16 bytes long.
Data: <øWÚ»÷ > F8 57 DA BB F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001D9E254E970, 16 bytes long.
Data: <ØWÚ»÷ > D8 57 DA BB F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001D9E254E290, 16 bytes long.
Data: <P Ú»÷ > 50 04 DA BB F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001D9E254E880, 16 bytes long.
Data: <0 Ú»÷ > 30 04 DA BB F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001D9E254DDE0, 16 bytes long.
Data: <à Ú»÷ > E0 02 DA BB F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001D9E254E7E0, 16 bytes long.
Data: < Ú»÷ > 10 04 DA BB F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001D9E254E150, 16 bytes long.
Data: <p Ú»÷ > 70 04 DA BB F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000001D9E254E1A0, 16 bytes long.
Data: < ÀØ»÷ > 18 C0 D8 BB F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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