Task 38675206
| Name | test_172-GPUGRID_TEST_ATM_40STEP_20261023-27-40-RND1659_0 |
| Workunit | 31617198 |
| Created | 26 Oct 2026, 7:37:18 UTC |
| Sent | 26 Oct 2026, 7:37:21 UTC |
| Report deadline | 31 Oct 2026, 7:37:21 UTC |
| Received | 26 Oct 2026, 17:41:20 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 543341 |
| Run time | 1 hours 1 min 43 sec |
| CPU time | 59 min 24 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 4,458.00 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 709.48 MB |
| Peak swap size | 12.75 GB |
| Peak disk usage | 3.02 GB |
Stderr output
<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
08:39:49 (21228): wrapper (7.9.26016): starting
08:39:49 (21228): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A34_A12_0.pdb
QB_A34_A12_0.xml
QB_A34_A12_input.yaml
QB_A34_A12.pdb
QB_A34_A12.prmtop
QB_A34_A12_sys.xml
run.bat
run.sh
08:39:51 (21228): Library/usr/bin/tar.exe exited; CPU time 0.000000
08:39:51 (21228): 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\27\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\27\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: r*/*.xtc: Cannot stat: No such file or directory
tar: Exiting with failure status due to previous errors
09:40:06 (21228): C:/Windows/system32/cmd.exe exited; CPU time 3564.578125
09:40:06 (21228): 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: 61315479 bytes.
Dumping objects ->
{3835302} normal block at 0x0000024894D56CC0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835291} normal block at 0x0000024894D573C0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835280} normal block at 0x0000024894D570B0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835269} normal block at 0x0000024894D56FD0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835258} normal block at 0x0000024894D575F0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835227} normal block at 0x000002489697D110, 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) : {3835214} normal block at 0x0000024894D25E10, 8 bytes long.
Data: < ɔH > 00 00 C9 94 48 02 00 00
{3833947} normal block at 0x0000024894D25FF0, 8 bytes long.
Data: <ð荖H > F0 E8 8D 96 48 02 00 00
..\zip\boinc_zip.cpp(122) : {305} normal block at 0x0000024894D32850, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000024894D15D00, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{289} normal block at 0x0000024894D33CF0, 16 bytes long.
Data: <øJÓ”H > F8 4A D3 94 48 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000024894D34510, 16 bytes long.
Data: <ÐJÓ”H > D0 4A D3 94 48 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000024894D2C100, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{286} normal block at 0x0000024894D33F20, 16 bytes long.
Data: <¨JÓ”H > A8 4A D3 94 48 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000024894D34240, 16 bytes long.
Data: < JÓ”H > 80 4A D3 94 48 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000024894D33C50, 16 bytes long.
Data: <XJÓ”H > 58 4A D3 94 48 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000024894D33A20, 16 bytes long.
Data: <0JÓ”H > 30 4A D3 94 48 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000024894D2A440, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{281} normal block at 0x0000024894D344C0, 16 bytes long.
Data: < \єH > 98 5C D1 94 48 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000024894D2C400, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{279} normal block at 0x0000024894D34060, 16 bytes long.
Data: <p\єH > 70 5C D1 94 48 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000024894D34420, 16 bytes long.
Data: <H\єH > 48 5C D1 94 48 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000024894D341F0, 16 bytes long.
Data: < \єH > 20 5C D1 94 48 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000024894D33E80, 16 bytes long.
Data: <ø[Ñ”H > F8 5B D1 94 48 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000024894D33980, 16 bytes long.
Data: <Ð[Ñ”H > D0 5B D1 94 48 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000024894D33F70, 16 bytes long.
Data: <¨[Ñ”H > A8 5B D1 94 48 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000024894D2BAA0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{271} normal block at 0x0000024894D33B10, 16 bytes long.
Data: < [єH > 80 5B D1 94 48 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000024894D15B80, 320 bytes long.
Data: < ;Ó”H  ºÒ”H > 10 3B D3 94 48 02 00 00 A0 BA D2 94 48 02 00 00
{269} normal block at 0x0000024894D33DE0, 16 bytes long.
Data: < JÓ”H > 10 4A D3 94 48 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000024894D34330, 16 bytes long.
Data: <èIÓ”H > E8 49 D3 94 48 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000024894D2B8C0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{266} normal block at 0x0000024894D341A0, 16 bytes long.
Data: <ÀIÓ”H > C0 49 D3 94 48 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000024894D2B6E0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{264} normal block at 0x0000024894D34100, 16 bytes long.
Data: < IÓ”H > 08 49 D3 94 48 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000024894D33AC0, 16 bytes long.
Data: <àHÓ”H > E0 48 D3 94 48 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000024894D33890, 16 bytes long.
Data: <¸HÓ”H > B8 48 D3 94 48 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000024894D33700, 16 bytes long.
Data: < HÓ”H > 90 48 D3 94 48 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000024894D340B0, 16 bytes long.
Data: <hHÓ”H > 68 48 D3 94 48 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x0000024894D33CA0, 16 bytes long.
Data: <@HÓ”H > 40 48 D3 94 48 02 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x0000024894D33B60, 16 bytes long.
Data: < Ò”H > 80 A2 D2 94 48 02 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x0000024894D2A280, 40 bytes long.
Data: <`;Ó”H Ñ—–H > 60 3B D3 94 48 02 00 00 10 D1 97 96 48 02 00 00
{255} normal block at 0x0000024894D33C00, 16 bytes long.
Data: < HÓ”H > 20 48 D3 94 48 02 00 00 00 00 00 00 00 00 00 00
{254} normal block at 0x0000024894D34010, 16 bytes long.
Data: <øGÓ”H > F8 47 D3 94 48 02 00 00 00 00 00 00 00 00 00 00
{253} normal block at 0x0000024894D2BF20, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{252} normal block at 0x0000024894D33840, 16 bytes long.
Data: <ÐGÓ”H > D0 47 D3 94 48 02 00 00 00 00 00 00 00 00 00 00
{251} normal block at 0x0000024894D347D0, 992 bytes long.
Data: <@8Ó”H ¿Ò”H > 40 38 D3 94 48 02 00 00 20 BF D2 94 48 02 00 00
{87} normal block at 0x0000024894D2C2E0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{86} normal block at 0x0000024894D25A50, 16 bytes long.
Data: <à¦Ò”H > E0 A6 D2 94 48 02 00 00 00 00 00 00 00 00 00 00
{85} normal block at 0x0000024894D2A6E0, 40 bytes long.
Data: <PZÒ”H àÂÒ”H > 50 5A D2 94 48 02 00 00 E0 C2 D2 94 48 02 00 00
{64} normal block at 0x0000024894D256E0, 16 bytes long.
Data: < ê ùö > 80 EA 1F F9 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000024894D25AF0, 16 bytes long.
Data: <@é ùö > 40 E9 1F F9 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000024894D255F0, 16 bytes long.
Data: <øW ùö > F8 57 1C F9 F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x0000024894D25E60, 16 bytes long.
Data: <ØW ùö > D8 57 1C F9 F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x0000024894D26360, 16 bytes long.
Data: <P ùö > 50 04 1C F9 F6 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x0000024894D261D0, 16 bytes long.
Data: <0 ùö > 30 04 1C F9 F6 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x0000024894D26310, 16 bytes long.
Data: <à ùö > E0 02 1C F9 F6 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x0000024894D25AA0, 16 bytes long.
Data: < ùö > 10 04 1C F9 F6 7F 00 00 00 00 00 00 00 00 00 00
{56} normal block at 0x0000024894D26270, 16 bytes long.
Data: <p ùö > 70 04 1C F9 F6 7F 00 00 00 00 00 00 00 00 00 00
{55} normal block at 0x0000024894D25DC0, 16 bytes long.
Data: < À ùö > 18 C0 1A F9 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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