Task 38677443
| Name | test_767-GPUGRID_TEST_ATM_40STEP_20261023-27-40-RND8999_0 |
| Workunit | 31619314 |
| Created | 26 Oct 2026, 14:22:08 UTC |
| Sent | 26 Oct 2026, 14:22:19 UTC |
| Report deadline | 31 Oct 2026, 14:22:19 UTC |
| Received | 26 Oct 2026, 16:06:08 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 654844 |
| Run time | 34 min 38 sec |
| CPU time | 31 min 5 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 29,325.87 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 682.96 MB |
| Peak swap size | 2.39 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
17:31:03 (4356): wrapper (7.9.26016): starting
17:31:03 (4356): 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
17:31:05 (4356): Library/usr/bin/tar.exe exited; CPU time 0.000000
17:31:05 (4356): 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:\ProgramData\BOINC\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:\ProgramData\BOINC\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
18:04:00 (4356): C:/Windows/system32/cmd.exe exited; CPU time 1865.796875
18:04:00 (4356): called boinc_finish(0)
0 bytes in 0 Free Blocks.
576 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: 23170277 bytes.
Dumping objects ->
{3835451} normal block at 0x0000016AB6495790, 48 bytes long.
Data: <PATH=G:\ProgramD> 50 41 54 48 3D 47 3A 5C 50 72 6F 67 72 61 6D 44
{3835440} normal block at 0x0000016AB6495560, 48 bytes long.
Data: <HOME=G:\ProgramD> 48 4F 4D 45 3D 47 3A 5C 50 72 6F 67 72 61 6D 44
{3835429} normal block at 0x0000016AB64956B0, 48 bytes long.
Data: <TMP=G:\ProgramDa> 54 4D 50 3D 47 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835418} normal block at 0x0000016AB64958E0, 48 bytes long.
Data: <TEMP=G:\ProgramD> 54 45 4D 50 3D 47 3A 5C 50 72 6F 67 72 61 6D 44
{3835407} normal block at 0x0000016AB6495E90, 48 bytes long.
Data: <TMPDIR=G:\Progra> 54 4D 50 44 49 52 3D 47 3A 5C 50 72 6F 67 72 61
{3835376} normal block at 0x0000016AB8083650, 64 bytes long.
Data: <PATH=G:\ProgramD> 50 41 54 48 3D 47 3A 5C 50 72 6F 67 72 61 6D 44
{3835365} normal block at 0x0000016AB6496A40, 160 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) : {3835362} normal block at 0x0000016AB64663B0, 8 bytes long.
Data: < C¶j > 00 00 43 B6 6A 01 00 00
{3834641} normal block at 0x0000016AB64965E0, 160 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833945} normal block at 0x0000016AB6466360, 8 bytes long.
Data: < ¸j > 90 15 11 B8 6A 01 00 00
..\zip\boinc_zip.cpp(122) : {304} normal block at 0x0000016AB646FC00, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000016AB645B100, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{288} normal block at 0x0000016AB6470D30, 16 bytes long.
Data: <H2G¶j > 48 32 47 B6 6A 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000016AB6471140, 16 bytes long.
Data: < 2G¶j > 20 32 47 B6 6A 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000016AB646CFD0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{285} normal block at 0x0000016AB6471780, 16 bytes long.
Data: <ø1G¶j > F8 31 47 B6 6A 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000016AB6471730, 16 bytes long.
Data: <Ð1G¶j > D0 31 47 B6 6A 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000016AB6470B50, 16 bytes long.
Data: <¨1G¶j > A8 31 47 B6 6A 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000016AB64710A0, 16 bytes long.
Data: < 1G¶j > 80 31 47 B6 6A 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000016AB646B4E0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{280} normal block at 0x0000016AB6471690, 16 bytes long.
Data: <¨­E¶j > A8 AD 45 B6 6A 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000016AB646C2B0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{278} normal block at 0x0000016AB6471A00, 16 bytes long.
Data: < ­E¶j > 80 AD 45 B6 6A 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000016AB6471000, 16 bytes long.
Data: <X­E¶j > 58 AD 45 B6 6A 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000016AB64719B0, 16 bytes long.
Data: <0­E¶j > 30 AD 45 B6 6A 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000016AB64714B0, 16 bytes long.
Data: < ­E¶j > 08 AD 45 B6 6A 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000016AB6471550, 16 bytes long.
Data: <à¬E¶j > E0 AC 45 B6 6A 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000016AB6471820, 16 bytes long.
Data: <¸¬E¶j > B8 AC 45 B6 6A 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000016AB646C5B0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{270} normal block at 0x0000016AB6471410, 16 bytes long.
Data: < ¬E¶j > 90 AC 45 B6 6A 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000016AB645AC90, 320 bytes long.
Data: < G¶j °ÅF¶j > 10 14 47 B6 6A 01 00 00 B0 C5 46 B6 6A 01 00 00
{268} normal block at 0x0000016AB6470CE0, 16 bytes long.
Data: <`1G¶j > 60 31 47 B6 6A 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000016AB6471960, 16 bytes long.
Data: <81G¶j > 38 31 47 B6 6A 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000016AB646C430, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{265} normal block at 0x0000016AB64715F0, 16 bytes long.
Data: < 1G¶j > 10 31 47 B6 6A 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000016AB646CC70, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{263} normal block at 0x0000016AB6471050, 16 bytes long.
Data: <X0G¶j > 58 30 47 B6 6A 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000016AB6470DD0, 16 bytes long.
Data: <00G¶j > 30 30 47 B6 6A 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000016AB6470E70, 16 bytes long.
Data: < 0G¶j > 08 30 47 B6 6A 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000016AB64713C0, 16 bytes long.
Data: <à/G¶j > E0 2F 47 B6 6A 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x0000016AB64716E0, 16 bytes long.
Data: <¸/G¶j > B8 2F 47 B6 6A 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x0000016AB6470C90, 16 bytes long.
Data: < /G¶j > 90 2F 47 B6 6A 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x0000016AB6471370, 16 bytes long.
Data: <°²F¶j > B0 B2 46 B6 6A 01 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x0000016AB646B2B0, 40 bytes long.
Data: <p G¶j P6 ¸j > 70 13 47 B6 6A 01 00 00 50 36 08 B8 6A 01 00 00
{254} normal block at 0x0000016AB64718C0, 16 bytes long.
Data: <p/G¶j > 70 2F 47 B6 6A 01 00 00 00 00 00 00 00 00 00 00
{253} normal block at 0x0000016AB6471230, 16 bytes long.
Data: <H/G¶j > 48 2F 47 B6 6A 01 00 00 00 00 00 00 00 00 00 00
{252} normal block at 0x0000016AB646CE50, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{251} normal block at 0x0000016AB6471870, 16 bytes long.
Data: < /G¶j > 20 2F 47 B6 6A 01 00 00 00 00 00 00 00 00 00 00
{250} normal block at 0x0000016AB6472F20, 992 bytes long.
Data: <p G¶j PÎF¶j > 70 18 47 B6 6A 01 00 00 50 CE 46 B6 6A 01 00 00
{86} normal block at 0x0000016AB646CB50, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{85} normal block at 0x0000016AB6466F90, 16 bytes long.
Data: <`±F¶j > 60 B1 46 B6 6A 01 00 00 00 00 00 00 00 00 00 00
{84} normal block at 0x0000016AB646B160, 40 bytes long.
Data: < oF¶j PËF¶j > 90 6F 46 B6 6A 01 00 00 50 CB 46 B6 6A 01 00 00
{63} normal block at 0x0000016AB6466310, 16 bytes long.
Data: < ê"Ñö > 80 EA 22 D1 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000016AB6466D10, 16 bytes long.
Data: <@é"Ñö > 40 E9 22 D1 F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x0000016AB64661D0, 16 bytes long.
Data: <øW Ñö > F8 57 1F D1 F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x0000016AB6466450, 16 bytes long.
Data: <ØW Ñö > D8 57 1F D1 F6 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x0000016AB6466C20, 16 bytes long.
Data: <P Ñö > 50 04 1F D1 F6 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x0000016AB6466A90, 16 bytes long.
Data: <0 Ñö > 30 04 1F D1 F6 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x0000016AB64664A0, 16 bytes long.
Data: <à Ñö > E0 02 1F D1 F6 7F 00 00 00 00 00 00 00 00 00 00
{56} normal block at 0x0000016AB6466180, 16 bytes long.
Data: < Ñö > 10 04 1F D1 F6 7F 00 00 00 00 00 00 00 00 00 00
{55} normal block at 0x0000016AB6466D60, 16 bytes long.
Data: <p Ñö > 70 04 1F D1 F6 7F 00 00 00 00 00 00 00 00 00 00
{54} normal block at 0x0000016AB64668B0, 16 bytes long.
Data: < À Ñö > 18 C0 1D D1 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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