Task 38678595
| Name | test_482-GPUGRID_TEST_ATM_40STEP_20261023-18-40-RND9971_0 |
| Workunit | 31620408 |
| Created | 26 Oct 2026, 17:54:25 UTC |
| Sent | 26 Oct 2026, 17:54:31 UTC |
| Report deadline | 31 Oct 2026, 17:54:31 UTC |
| Received | 26 Oct 2026, 19:19:38 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 654843 |
| Run time | 48 min 46 sec |
| CPU time | 40 min 10 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 13,171.24 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 654.23 MB |
| Peak swap size | 1.56 GB |
| Peak disk usage | 4.07 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
20:31:12 (2740): wrapper (7.9.26016): starting
20:31:12 (2740): 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
20:31:14 (2740): Library/usr/bin/tar.exe exited; CPU time 0.000000
20:31:14 (2740): 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:\ProgramData\BOINC\slots\1\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:\ProgramData\BOINC\slots\1\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
21:17:23 (2740): C:/Windows/system32/cmd.exe exited; CPU time 2410.125000
21:17:23 (2740): 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: 29854743 bytes.
Dumping objects ->
{3835229} normal block at 0x0000021CB1001670, 48 bytes long.
Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44
{3835218} normal block at 0x0000021CB1002400, 48 bytes long.
Data: <HOME=D:\ProgramD> 48 4F 4D 45 3D 44 3A 5C 50 72 6F 67 72 61 6D 44
{3835207} normal block at 0x0000021CB1001D70, 48 bytes long.
Data: <TMP=D:\ProgramDa> 54 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835196} normal block at 0x0000021CB1002240, 48 bytes long.
Data: <TEMP=D:\ProgramD> 54 45 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44
{3835185} normal block at 0x0000021CB1002390, 48 bytes long.
Data: <TMPDIR=D:\Progra> 54 4D 50 44 49 52 3D 44 3A 5C 50 72 6F 67 72 61
{3835154} normal block at 0x0000021CB0F5B900, 64 bytes long.
Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44
{3835143} normal block at 0x0000021CAF434E80, 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) : {3835140} normal block at 0x0000021CAF406010, 8 bytes long.
Data: < >¯ > 00 00 3E AF 1C 02 00 00
{3834539} normal block at 0x0000021CAF434BE0, 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 0x0000021CAF405AC0, 8 bytes long.
Data: < ò@¯ > 10 F2 40 AF 1C 02 00 00
..\zip\boinc_zip.cpp(122) : {304} normal block at 0x0000021CAF40F710, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000021CAF3FA0D0, 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 0x0000021CAF4104C0, 16 bytes long.
Data: <Ø$A¯ > D8 24 41 AF 1C 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000021CAF410BA0, 16 bytes long.
Data: <°$A¯ > B0 24 41 AF 1C 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000021CAF40C140, 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 0x0000021CAF410B50, 16 bytes long.
Data: < $A¯ > 88 24 41 AF 1C 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000021CAF410AB0, 16 bytes long.
Data: <`$A¯ > 60 24 41 AF 1C 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000021CAF410A10, 16 bytes long.
Data: <8$A¯ > 38 24 41 AF 1C 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000021CAF4105B0, 16 bytes long.
Data: < $A¯ > 10 24 41 AF 1C 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000021CAF40A2B0, 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 0x0000021CAF4109C0, 16 bytes long.
Data: <8Z?¯ > 38 5A 3F AF 1C 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000021CAF40B6C0, 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 0x0000021CAF410830, 16 bytes long.
Data: < Z?¯ > 10 5A 3F AF 1C 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000021CAF410150, 16 bytes long.
Data: <èY?¯ > E8 59 3F AF 1C 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000021CAF4106F0, 16 bytes long.
Data: <ÀY?¯ > C0 59 3F AF 1C 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000021CAF410740, 16 bytes long.
Data: < Y?¯ > 98 59 3F AF 1C 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000021CAF410470, 16 bytes long.
Data: <pY?¯ > 70 59 3F AF 1C 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000021CAF4103D0, 16 bytes long.
Data: <HY?¯ > 48 59 3F AF 1C 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000021CAF40BF00, 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 0x0000021CAF410060, 16 bytes long.
Data: < Y?¯ > 20 59 3F AF 1C 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000021CAF3F5920, 320 bytes long.
Data: <` A¯ ¿@¯ > 60 00 41 AF 1C 02 00 00 00 BF 40 AF 1C 02 00 00
{268} normal block at 0x0000021CAF410970, 16 bytes long.
Data: <ð#A¯ > F0 23 41 AF 1C 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000021CAF410920, 16 bytes long.
Data: <È#A¯ > C8 23 41 AF 1C 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000021CAF40BD20, 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 0x0000021CAF4106A0, 16 bytes long.
Data: < #A¯ > A0 23 41 AF 1C 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000021CAF40BBA0, 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 0x0000021CAF4101F0, 16 bytes long.
Data: <è"A¯ > E8 22 41 AF 1C 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000021CAF410650, 16 bytes long.
Data: <À"A¯ > C0 22 41 AF 1C 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000021CAF40FF70, 16 bytes long.
Data: < "A¯ > 98 22 41 AF 1C 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000021CAF40FE30, 16 bytes long.
Data: <p"A¯ > 70 22 41 AF 1C 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x0000021CAF410380, 16 bytes long.
Data: <H"A¯ > 48 22 41 AF 1C 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x0000021CAF410790, 16 bytes long.
Data: < "A¯ > 20 22 41 AF 1C 02 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x0000021CAF410600, 16 bytes long.
Data: <0¦@¯ > 30 A6 40 AF 1C 02 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x0000021CAF40A630, 40 bytes long.
Data: < A¯ ¹õ° > 00 06 41 AF 1C 02 00 00 00 B9 F5 B0 1C 02 00 00
{254} normal block at 0x0000021CAF40FDE0, 16 bytes long.
Data: < "A¯ > 00 22 41 AF 1C 02 00 00 00 00 00 00 00 00 00 00
{253} normal block at 0x0000021CAF410A60, 16 bytes long.
Data: <Ø!A¯ > D8 21 41 AF 1C 02 00 00 00 00 00 00 00 00 00 00
{252} normal block at 0x0000021CAF40BCC0, 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 0x0000021CAF410B00, 16 bytes long.
Data: <°!A¯ > B0 21 41 AF 1C 02 00 00 00 00 00 00 00 00 00 00
{250} normal block at 0x0000021CAF4121B0, 992 bytes long.
Data: < A¯ À¼@¯ > 00 0B 41 AF 1C 02 00 00 C0 BC 40 AF 1C 02 00 00
{86} normal block at 0x0000021CAF40B780, 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 0x0000021CAF405E80, 16 bytes long.
Data: <@¢@¯ > 40 A2 40 AF 1C 02 00 00 00 00 00 00 00 00 00 00
{84} normal block at 0x0000021CAF40A240, 40 bytes long.
Data: < ^@¯ ·@¯ > 80 5E 40 AF 1C 02 00 00 80 B7 40 AF 1C 02 00 00
{63} normal block at 0x0000021CAF405E30, 16 bytes long.
Data: < ê‰ï÷ > 80 EA 89 EF F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000021CAF405C50, 16 bytes long.
Data: <@é‰ï÷ > 40 E9 89 EF F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x0000021CAF405B60, 16 bytes long.
Data: <øW†ï÷ > F8 57 86 EF F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x0000021CAF4062E0, 16 bytes long.
Data: <ØW†ï÷ > D8 57 86 EF F7 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x0000021CAF4058E0, 16 bytes long.
Data: <P †ï÷ > 50 04 86 EF F7 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x0000021CAF405890, 16 bytes long.
Data: <0 †ï÷ > 30 04 86 EF F7 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x0000021CAF406240, 16 bytes long.
Data: <à †ï÷ > E0 02 86 EF F7 7F 00 00 00 00 00 00 00 00 00 00
{56} normal block at 0x0000021CAF405DE0, 16 bytes long.
Data: < †ï÷ > 10 04 86 EF F7 7F 00 00 00 00 00 00 00 00 00 00
{55} normal block at 0x0000021CAF405D90, 16 bytes long.
Data: <p †ï÷ > 70 04 86 EF F7 7F 00 00 00 00 00 00 00 00 00 00
{54} normal block at 0x0000021CAF405FC0, 16 bytes long.
Data: < À„ï÷ > 18 C0 84 EF F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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