Task 38686834
| Name | test_140-GPUGRID_TEST_ATM_40STEP_20261023-25-40-RND6553_0 |
| Workunit | 31628243 |
| Created | 28 Oct 2026, 4:37:13 UTC |
| Sent | 28 Oct 2026, 4:37:15 UTC |
| Report deadline | 2 Nov 2026, 4:37:15 UTC |
| Received | 28 Oct 2026, 5:35:51 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 631520 |
| Run time | 35 min 44 sec |
| CPU time | 33 min 22 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 6,608.41 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 698.07 MB |
| Peak swap size | 5.25 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
13:49:24 (17396): wrapper (7.9.26016): starting
13:49:24 (17396): 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
13:49:26 (17396): Library/usr/bin/tar.exe exited; CPU time 0.000000
13:49:26 (17396): 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
14:23:46 (17396): C:/Windows/system32/cmd.exe exited; CPU time 2002.718750
14:23:46 (17396): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 bytes in 6 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: 37518041 bytes.
Dumping objects ->
{3835268} normal block at 0x000002CEB8BCC370, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835257} normal block at 0x000002CEB6BA48F0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835246} normal block at 0x000002CEB6BA4880, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835235} normal block at 0x000002CEB6BA4730, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835224} normal block at 0x000002CEB6BA46C0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835193} normal block at 0x000002CEB8C13A30, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
..\api\boinc_api.cpp(309) : {3835180} normal block at 0x000002CEB6BA0B80, 8 bytes long.
Data: < a¸Î > 00 00 61 B8 CE 02 00 00
{3834037} normal block at 0x000002CEB6BA0F90, 8 bytes long.
Data: <° ·Î > B0 E3 05 B7 CE 02 00 00
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x000002CEB6B95D50, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000002CEB6B96D40, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{291} normal block at 0x000002CEB6BA5CE0, 16 bytes long.
Data: <Ødº¶Î > D8 64 BA B6 CE 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000002CEB6BA5240, 16 bytes long.
Data: <°dº¶Î > B0 64 BA B6 CE 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000002CEB6B9FF30, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{288} normal block at 0x000002CEB6BA5B50, 16 bytes long.
Data: < dº¶Î > 88 64 BA B6 CE 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000002CEB6BA5F10, 16 bytes long.
Data: <`dº¶Î > 60 64 BA B6 CE 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000002CEB6BA60A0, 16 bytes long.
Data: <8dº¶Î > 38 64 BA B6 CE 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000002CEB6BA53D0, 16 bytes long.
Data: < dº¶Î > 10 64 BA B6 CE 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000002CEB6BA4C70, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{283} normal block at 0x000002CEB6BA5A10, 16 bytes long.
Data: < ¸¶Î > E8 EF B8 B6 CE 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000002CEB6B9F810, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{281} normal block at 0x000002CEB6BA5B00, 16 bytes long.
Data: <À ¸¶Î > C0 EF B8 B6 CE 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000002CEB6BA59C0, 16 bytes long.
Data: < ¸¶Î > 98 EF B8 B6 CE 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000002CEB6BA5830, 16 bytes long.
Data: <p ¸¶Î > 70 EF B8 B6 CE 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000002CEB6BA5A60, 16 bytes long.
Data: <H ¸¶Î > 48 EF B8 B6 CE 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000002CEB6BA5E70, 16 bytes long.
Data: < ¸¶Î > 20 EF B8 B6 CE 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000002CEB6BA5290, 16 bytes long.
Data: < ¸¶Î > F8 EE B8 B6 CE 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000002CEB6B9F390, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{273} normal block at 0x000002CEB6BA5790, 16 bytes long.
Data: <Ð ¸¶Î > D0 EE B8 B6 CE 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000002CEB6B8EED0, 320 bytes long.
Data: < Wº¶Î ¹¶Î > 90 57 BA B6 CE 02 00 00 90 F3 B9 B6 CE 02 00 00
{271} normal block at 0x000002CEB6BA5EC0, 16 bytes long.
Data: < cº¶Î > F0 63 BA B6 CE 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000002CEB6BA5970, 16 bytes long.
Data: <Ècº¶Î > C8 63 BA B6 CE 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000002CEB6B9F9F0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{268} normal block at 0x000002CEB6BA5E20, 16 bytes long.
Data: < cº¶Î > A0 63 BA B6 CE 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000002CEB6B9FB10, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{266} normal block at 0x000002CEB6BA5C40, 16 bytes long.
Data: < bº¶Î > E8 62 BA B6 CE 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000002CEB6BA5AB0, 16 bytes long.
Data: <Àbº¶Î > C0 62 BA B6 CE 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000002CEB6BA57E0, 16 bytes long.
Data: < bº¶Î > 98 62 BA B6 CE 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000002CEB6BA5740, 16 bytes long.
Data: <pbº¶Î > 70 62 BA B6 CE 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000002CEB6BA5920, 16 bytes long.
Data: <Hbº¶Î > 48 62 BA B6 CE 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000002CEB6BA5470, 16 bytes long.
Data: < bº¶Î > 20 62 BA B6 CE 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000002CEB6BA5DD0, 16 bytes long.
Data: < Lº¶Î > E0 4C BA B6 CE 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000002CEB6BA4CE0, 40 bytes long.
Data: <Ð]º¶Î 0:Á¸Î > D0 5D BA B6 CE 02 00 00 30 3A C1 B8 CE 02 00 00
{257} normal block at 0x000002CEB6BA52E0, 16 bytes long.
Data: < bº¶Î > 00 62 BA B6 CE 02 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x000002CEB6BA60F0, 16 bytes long.
Data: <Øaº¶Î > D8 61 BA B6 CE 02 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x000002CEB6BA0050, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{254} normal block at 0x000002CEB6BA5BF0, 16 bytes long.
Data: <°aº¶Î > B0 61 BA B6 CE 02 00 00 00 00 00 00 00 00 00 00
{253} normal block at 0x000002CEB6BA61B0, 992 bytes long.
Data: < [º¶Î P º¶Î > F0 5B BA B6 CE 02 00 00 50 00 BA B6 CE 02 00 00
{89} normal block at 0x000002CEB6BA00B0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{88} normal block at 0x000002CEB6BA02C0, 16 bytes long.
Data: <ÐÔ¸¶Î > D0 D4 B8 B6 CE 02 00 00 00 00 00 00 00 00 00 00
{87} normal block at 0x000002CEB6B8D4D0, 40 bytes long.
Data: <À º¶Î ° º¶Î > C0 02 BA B6 CE 02 00 00 B0 00 BA B6 CE 02 00 00
{64} normal block at 0x000002CEB6BA0770, 16 bytes long.
Data: < f > 80 EA 66 93 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000002CEB6BA07C0, 16 bytes long.
Data: <@ f > 40 E9 66 93 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000002CEB6BA0EF0, 16 bytes long.
Data: < Wc > F8 57 63 93 F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000002CEB6BA0400, 16 bytes long.
Data: <ØWc > D8 57 63 93 F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000002CEB6BA0BD0, 16 bytes long.
Data: <P c > 50 04 63 93 F6 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x000002CEB6BA0220, 16 bytes long.
Data: <0 c > 30 04 63 93 F6 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x000002CEB6BA0E00, 16 bytes long.
Data: < c > E0 02 63 93 F6 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x000002CEB6BA0DB0, 16 bytes long.
Data: < c > 10 04 63 93 F6 7F 00 00 00 00 00 00 00 00 00 00
{56} normal block at 0x000002CEB6BA0360, 16 bytes long.
Data: <p c > 70 04 63 93 F6 7F 00 00 00 00 00 00 00 00 00 00
{55} normal block at 0x000002CEB6BA03B0, 16 bytes long.
Data: < Àa > 18 C0 61 93 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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