Task 38635295
| Name | p38_3_A08_A31_r0_3-QUICO_ATM_OpenFF_NAGL_p38_3-0-6-RND7198_1 |
| Workunit | 31583466 |
| Created | 28 Apr 2026, 12:59:54 UTC |
| Sent | 28 Apr 2026, 13:17:24 UTC |
| Report deadline | 3 May 2026, 13:17:24 UTC |
| Received | 29 Apr 2026, 0:03:03 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 620393 |
| Run time | 3 hours 58 min 29 sec |
| CPU time | 3 hours 49 min 58 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 41,942.09 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 669.56 MB |
| Peak swap size | 8.40 GB |
| Peak disk usage | 3.00 GB |
Stderr output
<core_client_version>8.2.9</core_client_version>
<![CDATA[
<stderr_txt>
22:05:10 (4136): wrapper (7.9.26016): starting
22:05:10 (4136): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A08_A31_0.pdb
QB_A08_A31_0.xml
QB_A08_A31.inpcrd
QB_A08_A31_input.yaml
QB_A08_A31.pdb
QB_A08_A31.prmtop
QB_A08_A31_sys.xml
run.bat
run.sh
22:05:12 (4136): Library/usr/bin/tar.exe exited; CPU time 0.000000
22:05:12 (4136): 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:\ProgramData\BOINC\slots\7\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:\ProgramData\BOINC\slots\7\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
02:02:15 (4136): C:/Windows/system32/cmd.exe exited; CPU time 13798.671875
02:02:15 (4136): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 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: 271586289 bytes.
Dumping objects ->
{3835208} normal block at 0x000001C08B867D10, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835197} normal block at 0x000001C08B868020, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835186} normal block at 0x000001C08B868410, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835175} normal block at 0x000001C08B8683A0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835164} normal block at 0x000001C08B867E60, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835133} normal block at 0x000001C08D628350, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
..\api\boinc_api.cpp(309) : {3835120} normal block at 0x000001C08B85DC50, 8 bytes long.
Data: < Ø‹À > 00 00 D8 8B C0 01 00 00
{3833961} normal block at 0x000001C08B85DA20, 8 bytes long.
Data: < Ø„‹À > A0 D8 84 8B C0 01 00 00
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x000001C08B851EE0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000001C08B84F500, 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 0x000001C08B867B60, 16 bytes long.
Data: <ø‡†‹À > F8 87 86 8B C0 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001C08B867A20, 16 bytes long.
Data: <Ї†‹À > D0 87 86 8B C0 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001C08B861670, 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 0x000001C08B8679D0, 16 bytes long.
Data: <¨‡†‹À > A8 87 86 8B C0 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001C08B867980, 16 bytes long.
Data: < ‡†‹À > 80 87 86 8B C0 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001C08B867610, 16 bytes long.
Data: <X‡†‹À > 58 87 86 8B C0 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001C08B866E90, 16 bytes long.
Data: <0‡†‹À > 30 87 86 8B C0 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001C08B867ED0, 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 0x000001C08B8675C0, 16 bytes long.
Data: <( …‹À > 28 16 85 8B C0 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001C08B861AF0, 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 0x000001C08B867570, 16 bytes long.
Data: < …‹À > 00 16 85 8B C0 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001C08B8672A0, 16 bytes long.
Data: <Ø …‹À > D8 15 85 8B C0 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001C08B867930, 16 bytes long.
Data: <° …‹À > B0 15 85 8B C0 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001C08B867250, 16 bytes long.
Data: < …‹À > 88 15 85 8B C0 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001C08B8672F0, 16 bytes long.
Data: <` …‹À > 60 15 85 8B C0 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001C08B8678E0, 16 bytes long.
Data: <8 …‹À > 38 15 85 8B C0 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001C08B861370, 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 0x000001C08B867520, 16 bytes long.
Data: < …‹À > 10 15 85 8B C0 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001C08B851510, 320 bytes long.
Data: < u†‹À p †‹À > 20 75 86 8B C0 01 00 00 70 13 86 8B C0 01 00 00
{276} normal block at 0x000001C08B867070, 16 bytes long.
Data: < ‡†‹À > 10 87 86 8B C0 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001C08B866FD0, 16 bytes long.
Data: <膆‹À > E8 86 86 8B C0 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001C08B861310, 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 0x000001C08B867340, 16 bytes long.
Data: <À††‹À > C0 86 86 8B C0 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001C08B8612B0, 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 0x000001C08B867890, 16 bytes long.
Data: < ††‹À > 08 86 86 8B C0 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001C08B8676B0, 16 bytes long.
Data: <à…†‹À > E0 85 86 8B C0 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001C08B867840, 16 bytes long.
Data: <¸…†‹À > B8 85 86 8B C0 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001C08B867BB0, 16 bytes long.
Data: < …†‹À > 90 85 86 8B C0 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001C08B867200, 16 bytes long.
Data: <h…†‹À > 68 85 86 8B C0 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001C08B867160, 16 bytes long.
Data: <@…†‹À > 40 85 86 8B C0 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001C08B8677F0, 16 bytes long.
Data: < †‹À > 00 81 86 8B C0 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001C08B868100, 40 bytes long.
Data: <ðw†‹À Pƒb À > F0 77 86 8B C0 01 00 00 50 83 62 8D C0 01 00 00
{262} normal block at 0x000001C08B867660, 16 bytes long.
Data: < …†‹À > 20 85 86 8B C0 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001C08B867B10, 16 bytes long.
Data: <ø„†‹À > F8 84 86 8B C0 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001C08B860FB0, 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 0x000001C08B866DF0, 16 bytes long.
Data: <Є†‹À > D0 84 86 8B C0 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001C08B8684D0, 992 bytes long.
Data: <ðm†‹À ° †‹À > F0 6D 86 8B C0 01 00 00 B0 0F 86 8B C0 01 00 00
{94} normal block at 0x000001C08B861190, 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 0x000001C08B85D2A0, 16 bytes long.
Data: <@„‹À > 40 C2 84 8B C0 01 00 00 00 00 00 00 00 00 00 00
{92} normal block at 0x000001C08B84C240, 40 bytes long.
Data: < Ò…‹À †‹À > A0 D2 85 8B C0 01 00 00 90 11 86 8B C0 01 00 00
{71} normal block at 0x000001C08B85D430, 16 bytes long.
Data: < êž;ö > 80 EA 9E 3B F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000001C08B85D840, 16 bytes long.
Data: <@éž;ö > 40 E9 9E 3B F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001C08B85D930, 16 bytes long.
Data: <øW›;ö > F8 57 9B 3B F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001C08B85D1B0, 16 bytes long.
Data: <ØW›;ö > D8 57 9B 3B F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001C08B85DF70, 16 bytes long.
Data: <P ›;ö > 50 04 9B 3B F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001C08B85DDE0, 16 bytes long.
Data: <0 ›;ö > 30 04 9B 3B F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001C08B85D110, 16 bytes long.
Data: <à ›;ö > E0 02 9B 3B F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001C08B85D0C0, 16 bytes long.
Data: < ›;ö > 10 04 9B 3B F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001C08B85DC00, 16 bytes long.
Data: <p ›;ö > 70 04 9B 3B F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001C08B85DCA0, 16 bytes long.
Data: < À ;ö > 18 C0 99 3B F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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