Task 38697405
| Name | test_980-GPUGRID_TEST_ATM_40STEP_20261023-36-40-RND7126_0 |
| Workunit | 31637986 |
| Created | 1 Nov 2026, 14:04:25 UTC |
| Sent | 1 Nov 2026, 14:04:29 UTC |
| Report deadline | 6 Nov 2026, 14:04:29 UTC |
| Received | 1 Nov 2026, 18:07:56 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 653745 |
| Run time | 37 min 44 sec |
| CPU time | 36 min 23 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 34,102.83 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 696.80 MB |
| Peak swap size | 3.98 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
15:28:59 (14012): wrapper (7.9.26016): starting
15:28:59 (14012): 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
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3835418} normal block at 0x0000024C020CEA70, 8 bytes long.
Data: < L > 00 00 BB 03 4C 02 00 00
..\lib\diagnostics_win.cpp(417) : {3833958} normal block at 0x0000024C03D54CA0, 1080 bytes long.
Data: <D > 44 0A 00 00 CD CD CD CD B4 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x0000024C020D0C70, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
18:29:36 (3316): wrapper (7.9.26016): starting
18:29:36 (3316): 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
18:29:37 (3316): Library/usr/bin/tar.exe exited; CPU time 0.000000
18:29:37 (3316): 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\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 'C:\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
19:07:18 (3316): C:/Windows/system32/cmd.exe exited; CPU time 2183.281250
19:07:18 (3316): 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: 31496423 bytes.
Dumping objects ->
{1852} normal block at 0x00000239BBBE4D50, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1841} normal block at 0x00000239BBBE48F0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1830} normal block at 0x00000239BBBE4960, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1819} normal block at 0x00000239BBBE4880, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1808} normal block at 0x00000239BBBE4C70, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1777} normal block at 0x00000239BBBDE770, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1766} normal block at 0x00000239BBBCB6A0, 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) : {1763} normal block at 0x00000239BBBE57C0, 8 bytes long.
Data: < 9 > 00 00 07 BC 39 02 00 00
{1024} normal block at 0x00000239BBBCD420, 160 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{304} normal block at 0x00000239BBBE59A0, 8 bytes long.
Data: < g 9 > 90 67 BE BB 39 02 00 00
{296} normal block at 0x00000239BBBD6D80, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{295} normal block at 0x00000239BBBE5EA0, 16 bytes long.
Data: < f 9 > 98 66 BE BB 39 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x00000239BBBE5DB0, 16 bytes long.
Data: <pf 9 > 70 66 BE BB 39 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x00000239BBBE05F0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{292} normal block at 0x00000239BBBE6030, 16 bytes long.
Data: <Hf 9 > 48 66 BE BB 39 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x00000239BBBE5E00, 16 bytes long.
Data: < f 9 > 20 66 BE BB 39 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x00000239BBBE5D10, 16 bytes long.
Data: < e 9 > F8 65 BE BB 39 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x00000239BBBE5B30, 16 bytes long.
Data: < e 9 > D0 65 BE BB 39 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x00000239BBBE4E30, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{287} normal block at 0x00000239BBBE6170, 16 bytes long.
Data: <H 9 > 48 90 BD BB 39 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x00000239BBBDF9F0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{285} normal block at 0x00000239BBBE5400, 16 bytes long.
Data: < 9 > 20 90 BD BB 39 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x00000239BBBE6300, 16 bytes long.
Data: < 9 > F8 8F BD BB 39 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x00000239BBBE5D60, 16 bytes long.
Data: < 9 > D0 8F BD BB 39 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x00000239BBBE53B0, 16 bytes long.
Data: < 9 > A8 8F BD BB 39 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x00000239BBBE5FE0, 16 bytes long.
Data: < 9 > 80 8F BD BB 39 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x00000239BBBE5720, 16 bytes long.
Data: <X 9 > 58 8F BD BB 39 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x00000239BBBDFC90, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{277} normal block at 0x00000239BBBE60D0, 16 bytes long.
Data: <0 9 > 30 8F BD BB 39 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x00000239BBBD8F30, 320 bytes long.
Data: < ` 9 9 > D0 60 BE BB 39 02 00 00 90 FC BD BB 39 02 00 00
{275} normal block at 0x00000239BBBE5540, 16 bytes long.
Data: < e 9 > B0 65 BE BB 39 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x00000239BBBE5AE0, 16 bytes long.
Data: < e 9 > 88 65 BE BB 39 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x00000239BBBE0470, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{272} normal block at 0x00000239BBBE5EF0, 16 bytes long.
Data: <`e 9 > 60 65 BE BB 39 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x00000239BBBE0770, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{270} normal block at 0x00000239BBBE5950, 16 bytes long.
Data: < d 9 > A8 64 BE BB 39 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x00000239BBBE5F90, 16 bytes long.
Data: < d 9 > 80 64 BE BB 39 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x00000239BBBE5CC0, 16 bytes long.
Data: <Xd 9 > 58 64 BE BB 39 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x00000239BBBE5C20, 16 bytes long.
Data: <0d 9 > 30 64 BE BB 39 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x00000239BBBE6120, 16 bytes long.
Data: < d 9 > 08 64 BE BB 39 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x00000239BBBE5590, 16 bytes long.
Data: < c 9 > E0 63 BE BB 39 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x00000239BBBE62B0, 16 bytes long.
Data: <@J 9 > 40 4A BE BB 39 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x00000239BBBE4A40, 40 bytes long.
Data: < b 9 p 9 > B0 62 BE BB 39 02 00 00 70 E7 BD BB 39 02 00 00
{261} normal block at 0x00000239BBBE54F0, 16 bytes long.
Data: < c 9 > C0 63 BE BB 39 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x00000239BBBE6260, 16 bytes long.
Data: < c 9 > 98 63 BE BB 39 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x00000239BBBE0290, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{258} normal block at 0x00000239BBBE5C70, 16 bytes long.
Data: <pc 9 > 70 63 BE BB 39 02 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x00000239BBBE6370, 992 bytes long.
Data: <p\ 9 9 > 70 5C BE BB 39 02 00 00 90 02 BE BB 39 02 00 00
{93} normal block at 0x00000239BBBDF870, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{92} normal block at 0x00000239BBBDF2B0, 16 bytes long.
Data: < 9 > E0 E4 BC BB 39 02 00 00 00 00 00 00 00 00 00 00
{91} normal block at 0x00000239BBBCE4E0, 40 bytes long.
Data: < 9 p 9 > B0 F2 BD BB 39 02 00 00 70 F8 BD BB 39 02 00 00
{70} normal block at 0x00000239BBBDF170, 16 bytes long.
Data: < r > 80 EA 72 8C F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x00000239BBBDF6C0, 16 bytes long.
Data: <@ r > 40 E9 72 8C F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x00000239BBBDF120, 16 bytes long.
Data: < Wo > F8 57 6F 8C F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x00000239BBBDEEF0, 16 bytes long.
Data: < Wo > D8 57 6F 8C F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x00000239BBBDE950, 16 bytes long.
Data: <P o > 50 04 6F 8C F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x00000239BBBDEA90, 16 bytes long.
Data: <0 o > 30 04 6F 8C F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x00000239BBBDE9F0, 16 bytes long.
Data: < o > E0 02 6F 8C F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x00000239BBBDEC70, 16 bytes long.
Data: < o > 10 04 6F 8C F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x00000239BBBDEA40, 16 bytes long.
Data: <p o > 70 04 6F 8C F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x00000239BBBDED60, 16 bytes long.
Data: < m > 18 C0 6D 8C F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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