Task 38679587
| Name | test_506-GPUGRID_TEST_ATM_40STEP_20261023-25-40-RND4928_0 |
| Workunit | 31621358 |
| Created | 26 Oct 2026, 21:04:19 UTC |
| Sent | 26 Oct 2026, 21:04:23 UTC |
| Report deadline | 31 Oct 2026, 21:04:23 UTC |
| Received | 26 Oct 2026, 22:54:35 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 652159 |
| Run time | 56 min 18 sec |
| CPU time | 52 min 16 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 53,456.43 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 722.27 MB |
| Peak swap size | 7.01 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
00:44:41 (18828): wrapper (7.9.26016): starting
00:44:41 (18828): 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
00:44:44 (18828): Library/usr/bin/tar.exe exited; CPU time 0.015625
00:44:44 (18828): 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\4\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\4\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.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3835547} normal block at 0x000002020CB2E030, 8 bytes long.
Data: < > 00 00 03 0D 02 02 00 00
..\lib\diagnostics_win.cpp(417) : {3833958} normal block at 0x000002020CC0EB10, 1080 bytes long.
Data: < V 0 > 98 56 00 00 CD CD CD CD 30 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x000002020CB31C70, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
01:17:54 (13360): wrapper (7.9.26016): starting
01:17:54 (13360): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\4\tmp already exists.
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
01:53:41 (13360): C:/Windows/system32/cmd.exe exited; CPU time 2108.750000
01:53:41 (13360): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 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: 37773996 bytes.
Dumping objects ->
{1982} normal block at 0x000001CEE3D65410, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1971} normal block at 0x000001CEE3D65170, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1960} normal block at 0x000001CEE3D651E0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1949} normal block at 0x000001CEE3D65330, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1938} normal block at 0x000001CEE3D653A0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1907} normal block at 0x000001CEE3D4B8B0, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1896} normal block at 0x000001CEE3D5F120, 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) : {1893} normal block at 0x000001CEE3D669C0, 8 bytes long.
Data: < 4 > 00 00 34 E4 CE 01 00 00
{1078} normal block at 0x000001CEE3D4F180, 102 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{305} normal block at 0x000001CEE3D66920, 8 bytes long.
Data: < p > 80 70 D6 E3 CE 01 00 00
{296} normal block at 0x000001CEE3D563F0, 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 0x000001CEE3D668D0, 16 bytes long.
Data: < o > 88 6F D6 E3 CE 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001CEE3D66830, 16 bytes long.
Data: <`o > 60 6F D6 E3 CE 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001CEE3D5FD80, 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 0x000001CEE3D667E0, 16 bytes long.
Data: <8o > 38 6F D6 E3 CE 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001CEE3D66A10, 16 bytes long.
Data: < o > 10 6F D6 E3 CE 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001CEE3D66420, 16 bytes long.
Data: < n > E8 6E D6 E3 CE 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001CEE3D66650, 16 bytes long.
Data: < n > C0 6E D6 E3 CE 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001CEE3D65090, 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 0x000001CEE3D663D0, 16 bytes long.
Data: <H > 48 95 D5 E3 CE 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001CEE3D5FB40, 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 0x000001CEE3D666A0, 16 bytes long.
Data: < > 20 95 D5 E3 CE 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001CEE3D66380, 16 bytes long.
Data: < > F8 94 D5 E3 CE 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001CEE3D66330, 16 bytes long.
Data: < > D0 94 D5 E3 CE 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001CEE3D662E0, 16 bytes long.
Data: < > A8 94 D5 E3 CE 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001CEE3D66150, 16 bytes long.
Data: < > 80 94 D5 E3 CE 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001CEE3D66B00, 16 bytes long.
Data: <X > 58 94 D5 E3 CE 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001CEE3D60140, 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 0x000001CEE3D65FC0, 16 bytes long.
Data: <0 > 30 94 D5 E3 CE 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001CEE3D59430, 320 bytes long.
Data: < _ @ > C0 5F D6 E3 CE 01 00 00 40 01 D6 E3 CE 01 00 00
{275} normal block at 0x000001CEE3D66290, 16 bytes long.
Data: < n > A0 6E D6 E3 CE 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001CEE3D66880, 16 bytes long.
Data: <xn > 78 6E D6 E3 CE 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001CEE3D5F7E0, 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 0x000001CEE3D65F20, 16 bytes long.
Data: <Pn > 50 6E D6 E3 CE 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001CEE3D5FE40, 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 0x000001CEE3D66240, 16 bytes long.
Data: < m > 98 6D D6 E3 CE 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001CEE3D65ED0, 16 bytes long.
Data: <pm > 70 6D D6 E3 CE 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001CEE3D66600, 16 bytes long.
Data: <Hm > 48 6D D6 E3 CE 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001CEE3D65E80, 16 bytes long.
Data: < m > 20 6D D6 E3 CE 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001CEE3D66560, 16 bytes long.
Data: < l > F8 6C D6 E3 CE 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001CEE3D66970, 16 bytes long.
Data: < l > D0 6C D6 E3 CE 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001CEE3D661F0, 16 bytes long.
Data: <@V > 40 56 D6 E3 CE 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001CEE3D65640, 40 bytes long.
Data: < a > F0 61 D6 E3 CE 01 00 00 B0 B8 D4 E3 CE 01 00 00
{261} normal block at 0x000001CEE3D66790, 16 bytes long.
Data: < l > B0 6C D6 E3 CE 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001CEE3D66A60, 16 bytes long.
Data: < l > 88 6C D6 E3 CE 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001CEE3D5F6C0, 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 0x000001CEE3D665B0, 16 bytes long.
Data: <`l > 60 6C D6 E3 CE 01 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x000001CEE3D66C60, 992 bytes long.
Data: < e > B0 65 D6 E3 CE 01 00 00 C0 F6 D5 E3 CE 01 00 00
{93} normal block at 0x000001CEE3D5F780, 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 0x000001CEE3D5D970, 16 bytes long.
Data: < > E0 DF D4 E3 CE 01 00 00 00 00 00 00 00 00 00 00
{91} normal block at 0x000001CEE3D4DFE0, 40 bytes long.
Data: <p > 70 D9 D5 E3 CE 01 00 00 80 F7 D5 E3 CE 01 00 00
{70} normal block at 0x000001CEE3D5DA60, 16 bytes long.
Data: < /c > 80 EA 2F 63 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001CEE3D5E0A0, 16 bytes long.
Data: <@ /c > 40 E9 2F 63 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001CEE3D5DE70, 16 bytes long.
Data: < W,c > F8 57 2C 63 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001CEE3D5E4B0, 16 bytes long.
Data: < W,c > D8 57 2C 63 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001CEE3D5D790, 16 bytes long.
Data: <P ,c > 50 04 2C 63 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001CEE3D5E410, 16 bytes long.
Data: <0 ,c > 30 04 2C 63 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001CEE3D5E0F0, 16 bytes long.
Data: < ,c > E0 02 2C 63 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001CEE3D5E460, 16 bytes long.
Data: < ,c > 10 04 2C 63 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001CEE3D5D6A0, 16 bytes long.
Data: <p ,c > 70 04 2C 63 F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001CEE3D5DC90, 16 bytes long.
Data: < *c > 18 C0 2A 63 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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