Task 38685898
| Name | test_32-GPUGRID_TEST_ATM_40STEP_20261023-39-40-RND7887_0 |
| Workunit | 31627352 |
| Created | 27 Oct 2026, 23:33:54 UTC |
| Sent | 27 Oct 2026, 23:34:11 UTC |
| Report deadline | 1 Nov 2026, 23:34:11 UTC |
| Received | 28 Oct 2026, 0:54:54 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 650754 |
| Run time | 56 min 43 sec |
| CPU time | 56 min 43 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 9,332.26 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 698.85 MB |
| Peak swap size | 9.84 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
23:57:24 (6308): wrapper (7.9.26016): starting
23:57:24 (6308): 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
23:57:25 (6308): Library/usr/bin/tar.exe exited; CPU time 0.000000
23:57:25 (6308): 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:\BOINCdata\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 'C:\BOINCdata\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
00:53:18 (6308): C:/Windows/system32/cmd.exe exited; CPU time 3403.500000
00:53:18 (6308): 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: 37780949 bytes.
Dumping objects ->
{3835233} normal block at 0x00000128F1265920, 48 bytes long.
Data: <PATH=C:\BOINCdat> 50 41 54 48 3D 43 3A 5C 42 4F 49 4E 43 64 61 74
{3835222} normal block at 0x00000128F2E32770, 32 bytes long.
Data: <HOME=C:\BOINCdat> 48 4F 4D 45 3D 43 3A 5C 42 4F 49 4E 43 64 61 74
{3835211} normal block at 0x00000128F2E32950, 32 bytes long.
Data: <TMP=C:\BOINCdata> 54 4D 50 3D 43 3A 5C 42 4F 49 4E 43 64 61 74 61
{3835200} normal block at 0x00000128F2E332B0, 32 bytes long.
Data: <TEMP=C:\BOINCdat> 54 45 4D 50 3D 43 3A 5C 42 4F 49 4E 43 64 61 74
{3835189} normal block at 0x00000128F2E32CB0, 32 bytes long.
Data: <TMPDIR=C:\BOINCd> 54 4D 50 44 49 52 3D 43 3A 5C 42 4F 49 4E 43 64
{3835158} normal block at 0x00000128F1266410, 48 bytes long.
Data: <PATH=C:\BOINCdat> 50 41 54 48 3D 43 3A 5C 42 4F 49 4E 43 64 61 74
{3835147} normal block at 0x00000128F12398A0, 200 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) : {3835144} normal block at 0x00000128F1236BC0, 8 bytes long.
Data: < ­ò( > 00 00 AD F2 28 01 00 00
{3834547} normal block at 0x00000128F12388B0, 200 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833947} normal block at 0x00000128F1237070, 8 bytes long.
Data: < Uëò( > 00 55 EB F2 28 01 00 00
..\zip\boinc_zip.cpp(122) : {305} normal block at 0x00000128F12413E0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x00000128F1225BC0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{289} normal block at 0x00000128F12427E0, 16 bytes long.
Data: <X7$ñ( > 58 37 24 F1 28 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x00000128F1242560, 16 bytes long.
Data: <07$ñ( > 30 37 24 F1 28 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x00000128F123E090, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{286} normal block at 0x00000128F1242D30, 16 bytes long.
Data: < 7$ñ( > 08 37 24 F1 28 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x00000128F1242510, 16 bytes long.
Data: <à6$ñ( > E0 36 24 F1 28 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x00000128F1242C90, 16 bytes long.
Data: <¸6$ñ( > B8 36 24 F1 28 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x00000128F1242920, 16 bytes long.
Data: < 6$ñ( > 90 36 24 F1 28 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x00000128F123E760, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{281} normal block at 0x00000128F12430F0, 16 bytes long.
Data: <X["ñ( > 58 5B 22 F1 28 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x00000128F123DA30, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{279} normal block at 0x00000128F12424C0, 16 bytes long.
Data: <0["ñ( > 30 5B 22 F1 28 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x00000128F12430A0, 16 bytes long.
Data: < ["ñ( > 08 5B 22 F1 28 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x00000128F1242A10, 16 bytes long.
Data: <àZ"ñ( > E0 5A 22 F1 28 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x00000128F1242B50, 16 bytes long.
Data: <¸Z"ñ( > B8 5A 22 F1 28 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x00000128F1242A60, 16 bytes long.
Data: < Z"ñ( > 90 5A 22 F1 28 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x00000128F1242B00, 16 bytes long.
Data: <hZ"ñ( > 68 5A 22 F1 28 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x00000128F123DAF0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{271} normal block at 0x00000128F1242470, 16 bytes long.
Data: <@Z"ñ( > 40 5A 22 F1 28 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x00000128F1225A40, 320 bytes long.
Data: <p$$ñ( ðÚ#ñ( > 70 24 24 F1 28 01 00 00 F0 DA 23 F1 28 01 00 00
{269} normal block at 0x00000128F1242EC0, 16 bytes long.
Data: <p6$ñ( > 70 36 24 F1 28 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x00000128F1242740, 16 bytes long.
Data: <H6$ñ( > 48 36 24 F1 28 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x00000128F123E030, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{266} normal block at 0x00000128F1243190, 16 bytes long.
Data: < 6$ñ( > 20 36 24 F1 28 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x00000128F123DA90, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{264} normal block at 0x00000128F1242C40, 16 bytes long.
Data: <h5$ñ( > 68 35 24 F1 28 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x00000128F1242E70, 16 bytes long.
Data: <@5$ñ( > 40 35 24 F1 28 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x00000128F1242DD0, 16 bytes long.
Data: < 5$ñ( > 18 35 24 F1 28 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x00000128F12428D0, 16 bytes long.
Data: <ð4$ñ( > F0 34 24 F1 28 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x00000128F1243140, 16 bytes long.
Data: <È4$ñ( > C8 34 24 F1 28 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x00000128F12425B0, 16 bytes long.
Data: < 4$ñ( > A0 34 24 F1 28 01 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x00000128F12426F0, 16 bytes long.
Data: < æ#ñ( > 10 E6 23 F1 28 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x00000128F123E610, 40 bytes long.
Data: <ð&$ñ( d&ñ( > F0 26 24 F1 28 01 00 00 10 64 26 F1 28 01 00 00
{255} normal block at 0x00000128F12426A0, 16 bytes long.
Data: < 4$ñ( > 80 34 24 F1 28 01 00 00 00 00 00 00 00 00 00 00
{254} normal block at 0x00000128F1242650, 16 bytes long.
Data: <X4$ñ( > 58 34 24 F1 28 01 00 00 00 00 00 00 00 00 00 00
{253} normal block at 0x00000128F123D970, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{252} normal block at 0x00000128F1243230, 16 bytes long.
Data: <04$ñ( > 30 34 24 F1 28 01 00 00 00 00 00 00 00 00 00 00
{251} normal block at 0x00000128F1243430, 992 bytes long.
Data: <02$ñ( pÙ#ñ( > 30 32 24 F1 28 01 00 00 70 D9 23 F1 28 01 00 00
{87} normal block at 0x00000128F123D550, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{86} normal block at 0x00000128F1236440, 16 bytes long.
Data: < æ#ñ( > 80 E6 23 F1 28 01 00 00 00 00 00 00 00 00 00 00
{85} normal block at 0x00000128F123E680, 40 bytes long.
Data: <@d#ñ( PÕ#ñ( > 40 64 23 F1 28 01 00 00 50 D5 23 F1 28 01 00 00
{64} normal block at 0x00000128F1237020, 16 bytes long.
Data: < ê#‡÷ > 80 EA 23 87 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x00000128F12363F0, 16 bytes long.
Data: <@é#‡÷ > 40 E9 23 87 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x00000128F1236AD0, 16 bytes long.
Data: <øW ‡÷ > F8 57 20 87 F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x00000128F1236990, 16 bytes long.
Data: <ØW ‡÷ > D8 57 20 87 F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x00000128F12364E0, 16 bytes long.
Data: <P ‡÷ > 50 04 20 87 F7 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x00000128F1236FD0, 16 bytes long.
Data: <0 ‡÷ > 30 04 20 87 F7 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x00000128F1236DF0, 16 bytes long.
Data: <à ‡÷ > E0 02 20 87 F7 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x00000128F1236A80, 16 bytes long.
Data: < ‡÷ > 10 04 20 87 F7 7F 00 00 00 00 00 00 00 00 00 00
{56} normal block at 0x00000128F1236C60, 16 bytes long.
Data: <p ‡÷ > 70 04 20 87 F7 7F 00 00 00 00 00 00 00 00 00 00
{55} normal block at 0x00000128F1236B70, 16 bytes long.
Data: < À ‡÷ > 18 C0 1E 87 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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