Task 38686880
| Name | test_597-GPUGRID_TEST_ATM_40STEP_20261023-29-40-RND5344_0 |
| Workunit | 31628289 |
| Created | 28 Oct 2026, 4:52:01 UTC |
| Sent | 28 Oct 2026, 4:52:06 UTC |
| Report deadline | 2 Nov 2026, 4:52:06 UTC |
| Received | 28 Oct 2026, 6:02:53 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 156955 |
| Run time | 35 min 42 sec |
| CPU time | 32 min 18 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 22,242.34 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 710.81 MB |
| Peak swap size | 8.47 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>7.24.1</core_client_version>
<![CDATA[
<stderr_txt>
06:28:35 (35636): wrapper (7.9.26016): starting
06:28:35 (35636): 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
06:28:39 (35636): Library/usr/bin/tar.exe exited; CPU time 0.015625
06:28:39 (35636): 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:\Boinc_data\slots\5\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:\Boinc_data\slots\5\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
07:02:24 (35636): C:/Windows/system32/cmd.exe exited; CPU time 1938.250000
07:02:24 (35636): called boinc_finish(0)
0 bytes in 0 Free Blocks.
380 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: 44609523 bytes.
Dumping objects ->
{3835307} normal block at 0x0000024DAE046AA0, 48 bytes long.
Data: <PATH=D:\Boinc_da> 50 41 54 48 3D 44 3A 5C 42 6F 69 6E 63 5F 64 61
{3835296} normal block at 0x0000024DAFD85CB0, 32 bytes long.
Data: <HOME=D:\Boinc_da> 48 4F 4D 45 3D 44 3A 5C 42 6F 69 6E 63 5F 64 61
{3835285} normal block at 0x0000024DAFD84B10, 32 bytes long.
Data: <TMP=D:\Boinc_dat> 54 4D 50 3D 44 3A 5C 42 6F 69 6E 63 5F 64 61 74
{3835274} normal block at 0x0000024DAFD862B0, 32 bytes long.
Data: <TEMP=D:\Boinc_da> 54 45 4D 50 3D 44 3A 5C 42 6F 69 6E 63 5F 64 61
{3835263} normal block at 0x0000024DAFD84C90, 32 bytes long.
Data: <TMPDIR=D:\Boinc_> 54 4D 50 44 49 52 3D 44 3A 5C 42 6F 69 6E 63 5F
{3835232} normal block at 0x0000024DAE046410, 48 bytes long.
Data: <PATH=D:\Boinc_da> 50 41 54 48 3D 44 3A 5C 42 6F 69 6E 63 5F 64 61
{3835221} normal block at 0x0000024DAFD4E030, 102 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) : {3835218} normal block at 0x0000024DAE017640, 8 bytes long.
Data: < ý­M > 00 00 FD AD 4D 02 00 00
{3834570} normal block at 0x0000024DAFD4DE20, 102 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833957} normal block at 0x0000024DAE017870, 8 bytes long.
Data: <ðfà¯M > F0 66 E0 AF 4D 02 00 00
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x0000024DAE021AB0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000024DAE01D690, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{294} normal block at 0x0000024DAE022F50, 16 bytes long.
Data: <ØA ®M > D8 41 02 AE 4D 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000024DAE023090, 16 bytes long.
Data: <°A ®M > B0 41 02 AE 4D 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000024DAE01B9D0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{291} normal block at 0x0000024DAE023950, 16 bytes long.
Data: < A ®M > 88 41 02 AE 4D 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000024DAE023900, 16 bytes long.
Data: <`A ®M > 60 41 02 AE 4D 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000024DAE0236D0, 16 bytes long.
Data: <8A ®M > 38 41 02 AE 4D 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000024DAE022B90, 16 bytes long.
Data: < A ®M > 10 41 02 AE 4D 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000024DAE01DB20, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{286} normal block at 0x0000024DAE022B40, 16 bytes long.
Data: < ) ®M > 88 29 02 AE 4D 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000024DAE01C5D0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{284} normal block at 0x0000024DAE023540, 16 bytes long.
Data: <`) ®M > 60 29 02 AE 4D 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000024DAE022FA0, 16 bytes long.
Data: <8) ®M > 38 29 02 AE 4D 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000024DAE022AF0, 16 bytes long.
Data: < ) ®M > 10 29 02 AE 4D 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000024DAE0230E0, 16 bytes long.
Data: <è( ®M > E8 28 02 AE 4D 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000024DAE023310, 16 bytes long.
Data: <À( ®M > C0 28 02 AE 4D 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000024DAE023270, 16 bytes long.
Data: < ( ®M > 98 28 02 AE 4D 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000024DAE01BA90, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{276} normal block at 0x0000024DAE022FF0, 16 bytes long.
Data: <p( ®M > 70 28 02 AE 4D 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000024DAE022870, 320 bytes long.
Data: <ð/ ®M º ®M > F0 2F 02 AE 4D 02 00 00 90 BA 01 AE 4D 02 00 00
{274} normal block at 0x0000024DAE022EB0, 16 bytes long.
Data: <ð@ ®M > F0 40 02 AE 4D 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000024DAE0232C0, 16 bytes long.
Data: <È@ ®M > C8 40 02 AE 4D 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000024DAE01C810, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{271} normal block at 0x0000024DAE023220, 16 bytes long.
Data: < @ ®M > A0 40 02 AE 4D 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000024DAE01C4B0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{269} normal block at 0x0000024DAE0234F0, 16 bytes long.
Data: <è? ®M > E8 3F 02 AE 4D 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000024DAE0238B0, 16 bytes long.
Data: <À? ®M > C0 3F 02 AE 4D 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000024DAE022D70, 16 bytes long.
Data: < ? ®M > 98 3F 02 AE 4D 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000024DAE0234A0, 16 bytes long.
Data: <p? ®M > 70 3F 02 AE 4D 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000024DAE022E10, 16 bytes long.
Data: <H? ®M > 48 3F 02 AE 4D 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000024DAE0239F0, 16 bytes long.
Data: < ? ®M > 20 3F 02 AE 4D 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000024DAE023630, 16 bytes long.
Data: < Û ®M > 90 DB 01 AE 4D 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000024DAE01DB90, 40 bytes long.
Data: <06 ®M d ®M > 30 36 02 AE 4D 02 00 00 10 64 04 AE 4D 02 00 00
{260} normal block at 0x0000024DAE023770, 16 bytes long.
Data: < ? ®M > 00 3F 02 AE 4D 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x0000024DAE023450, 16 bytes long.
Data: <Ø> ®M > D8 3E 02 AE 4D 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x0000024DAE01BFD0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{257} normal block at 0x0000024DAE023400, 16 bytes long.
Data: <°> ®M > B0 3E 02 AE 4D 02 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x0000024DAE023EB0, 992 bytes long.
Data: < 4 ®M п ®M > 00 34 02 AE 4D 02 00 00 D0 BF 01 AE 4D 02 00 00
{92} normal block at 0x0000024DAE01C7B0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{91} normal block at 0x0000024DAE017820, 16 bytes long.
Data: <°Ú ®M > B0 DA 01 AE 4D 02 00 00 00 00 00 00 00 00 00 00
{90} normal block at 0x0000024DAE01DAB0, 40 bytes long.
Data: < x ®M °Ç ®M > 20 78 01 AE 4D 02 00 00 B0 C7 01 AE 4D 02 00 00
{69} normal block at 0x0000024DAE017190, 16 bytes long.
Data: < êS‚ö > 80 EA 53 82 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000024DAE017230, 16 bytes long.
Data: <@éS‚ö > 40 E9 53 82 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000024DAE017960, 16 bytes long.
Data: <øWP‚ö > F8 57 50 82 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000024DAE016DD0, 16 bytes long.
Data: <ØWP‚ö > D8 57 50 82 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000024DAE016F10, 16 bytes long.
Data: <P P‚ö > 50 04 50 82 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000024DAE017050, 16 bytes long.
Data: <0 P‚ö > 30 04 50 82 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000024DAE017AF0, 16 bytes long.
Data: <à P‚ö > E0 02 50 82 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000024DAE017780, 16 bytes long.
Data: < P‚ö > 10 04 50 82 F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x0000024DAE017140, 16 bytes long.
Data: <p P‚ö > 70 04 50 82 F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x0000024DAE017500, 16 bytes long.
Data: < ÀN‚ö > 18 C0 4E 82 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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