Task 38678233
| Name | test_918-GPUGRID_TEST_ATM_40STEP_20261023-20-40-RND4530_0 |
| Workunit | 31620063 |
| Created | 26 Oct 2026, 16:47:30 UTC |
| Sent | 26 Oct 2026, 16:47:33 UTC |
| Report deadline | 31 Oct 2026, 16:47:33 UTC |
| Received | 26 Oct 2026, 17:29:39 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 625666 |
| Run time | 34 min 6 sec |
| CPU time | 30 min 58 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 16,200.74 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 703.98 MB |
| Peak swap size | 6.89 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
11:57:21 (23904): wrapper (7.9.26016): starting
11:57:21 (23904): 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
11:57:35 (23904): Library/usr/bin/tar.exe exited; CPU time 0.031250
11:57:35 (23904): 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 'G:\BOINC\DATA\slots\0\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 'G:\BOINC\DATA\slots\0\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
12:28:59 (23904): C:/Windows/system32/cmd.exe exited; CPU time 1858.875000
12:28:59 (23904): 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: 35369498 bytes.
Dumping objects ->
{3835291} normal block at 0x0000021DE9A61410, 48 bytes long.
Data: <PATH=G:\BOINC\DA> 50 41 54 48 3D 47 3A 5C 42 4F 49 4E 43 5C 44 41
{3835280} normal block at 0x0000021DE9C35830, 32 bytes long.
Data: <HOME=G:\BOINC\DA> 48 4F 4D 45 3D 47 3A 5C 42 4F 49 4E 43 5C 44 41
{3835269} normal block at 0x0000021DE9C35950, 32 bytes long.
Data: <TMP=G:\BOINC\DAT> 54 4D 50 3D 47 3A 5C 42 4F 49 4E 43 5C 44 41 54
{3835258} normal block at 0x0000021DE9C354D0, 32 bytes long.
Data: <TEMP=G:\BOINC\DA> 54 45 4D 50 3D 47 3A 5C 42 4F 49 4E 43 5C 44 41
{3835247} normal block at 0x0000021DE9C35470, 32 bytes long.
Data: <TMPDIR=G:\BOINC\> 54 4D 50 44 49 52 3D 47 3A 5C 42 4F 49 4E 43 5C
{3835216} normal block at 0x0000021DE9A616B0, 48 bytes long.
Data: <PATH=G:\BOINC\DA> 50 41 54 48 3D 47 3A 5C 42 4F 49 4E 43 5C 44 41
{3835205} normal block at 0x0000021DE9C86C80, 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) : {3835202} normal block at 0x0000021DE7FD7270, 8 bytes long.
Data: < §é > 00 00 A7 E9 1D 02 00 00
{3834574} normal block at 0x0000021DE9C863C0, 85 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833965} normal block at 0x0000021DE7FD6B40, 8 bytes long.
Data: < ¨ è > 10 A8 03 E8 1D 02 00 00
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x0000021DE7FE0AD0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x0000021DE7FC60D0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{298} normal block at 0x0000021DE7FE1D90, 16 bytes long.
Data: <Ø?þç > D8 3F FE E7 1D 02 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x0000021DE7FE1A20, 16 bytes long.
Data: <°?þç > B0 3F FE E7 1D 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x0000021DE7FDC780, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{295} normal block at 0x0000021DE7FE19D0, 16 bytes long.
Data: < ?þç > 88 3F FE E7 1D 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000021DE7FE22E0, 16 bytes long.
Data: <`?þç > 60 3F FE E7 1D 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000021DE7FE1C50, 16 bytes long.
Data: <8?þç > 38 3F FE E7 1D 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000021DE7FE1980, 16 bytes long.
Data: < ?þç > 10 3F FE E7 1D 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000021DE7FDD9E0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{290} normal block at 0x0000021DE7FE2790, 16 bytes long.
Data: <h`üç > 68 60 FC E7 1D 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000021DE7FDC240, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{288} normal block at 0x0000021DE7FE1B60, 16 bytes long.
Data: <@`üç > 40 60 FC E7 1D 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000021DE7FE2150, 16 bytes long.
Data: < `üç > 18 60 FC E7 1D 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000021DE7FE26F0, 16 bytes long.
Data: <ð_üç > F0 5F FC E7 1D 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000021DE7FE2100, 16 bytes long.
Data: <È_üç > C8 5F FC E7 1D 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000021DE7FE2290, 16 bytes long.
Data: < _üç > A0 5F FC E7 1D 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000021DE7FE1C00, 16 bytes long.
Data: <x_üç > 78 5F FC E7 1D 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000021DE7FDB9A0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{280} normal block at 0x0000021DE7FE2510, 16 bytes long.
Data: <P_üç > 50 5F FC E7 1D 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000021DE7FC5F50, 320 bytes long.
Data: < %þç  ¹ýç > 10 25 FE E7 1D 02 00 00 A0 B9 FD E7 1D 02 00 00
{278} normal block at 0x0000021DE7FE1CF0, 16 bytes long.
Data: <ð>þç > F0 3E FE E7 1D 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000021DE7FE26A0, 16 bytes long.
Data: <È>þç > C8 3E FE E7 1D 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000021DE7FDB940, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{275} normal block at 0x0000021DE7FE18E0, 16 bytes long.
Data: < >þç > A0 3E FE E7 1D 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000021DE7FDC420, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{273} normal block at 0x0000021DE7FE2420, 16 bytes long.
Data: <è=þç > E8 3D FE E7 1D 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000021DE7FE2650, 16 bytes long.
Data: <À=þç > C0 3D FE E7 1D 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000021DE7FE2240, 16 bytes long.
Data: < =þç > 98 3D FE E7 1D 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000021DE7FE23D0, 16 bytes long.
Data: <p=þç > 70 3D FE E7 1D 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000021DE7FE2330, 16 bytes long.
Data: <H=þç > 48 3D FE E7 1D 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000021DE7FE21F0, 16 bytes long.
Data: < =þç > 20 3D FE E7 1D 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000021DE7FE1B10, 16 bytes long.
Data: <`Öýç > 60 D6 FD E7 1D 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000021DE7FDD660, 40 bytes long.
Data: < þç ° ¦é > 10 1B FE E7 1D 02 00 00 B0 16 A6 E9 1D 02 00 00
{264} normal block at 0x0000021DE7FE20B0, 16 bytes long.
Data: < =þç > 00 3D FE E7 1D 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000021DE7FE1CA0, 16 bytes long.
Data: <Ø<þç > D8 3C FE E7 1D 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000021DE7FDC000, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{261} normal block at 0x0000021DE7FE2830, 16 bytes long.
Data: <°<þç > B0 3C FE E7 1D 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000021DE7FE3CB0, 992 bytes long.
Data: <0(þç Àýç > 30 28 FE E7 1D 02 00 00 00 C0 FD E7 1D 02 00 00
{96} normal block at 0x0000021DE7FDC060, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{95} normal block at 0x0000021DE7FD6FA0, 16 bytes long.
Data: < Ùýç > 00 D9 FD E7 1D 02 00 00 00 00 00 00 00 00 00 00
{94} normal block at 0x0000021DE7FDD900, 40 bytes long.
Data: < oýç `Àýç > A0 6F FD E7 1D 02 00 00 60 C0 FD E7 1D 02 00 00
{73} normal block at 0x0000021DE7FD7310, 16 bytes long.
Data: < êÒ–ö > 80 EA D2 96 F6 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x0000021DE7FD7450, 16 bytes long.
Data: <@éÒ–ö > 40 E9 D2 96 F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x0000021DE7FD6C80, 16 bytes long.
Data: <øWÏ–ö > F8 57 CF 96 F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x0000021DE7FD77C0, 16 bytes long.
Data: <ØWÏ–ö > D8 57 CF 96 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000021DE7FD74F0, 16 bytes long.
Data: <P Ï–ö > 50 04 CF 96 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000021DE7FD6AA0, 16 bytes long.
Data: <0 Ï–ö > 30 04 CF 96 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000021DE7FD6D70, 16 bytes long.
Data: <à Ï–ö > E0 02 CF 96 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000021DE7FD7770, 16 bytes long.
Data: < Ï–ö > 10 04 CF 96 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000021DE7FD6D20, 16 bytes long.
Data: <p Ï–ö > 70 04 CF 96 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000021DE7FD7630, 16 bytes long.
Data: < ÀÍ–ö > 18 C0 CD 96 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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