Task 38699438
| Name | test_824-GPUGRID_TEST_ATM_40STEP_20261023-33-40-RND3280_0 |
| Workunit | 31639841 |
| Created | 4 Nov 2026, 7:57:35 UTC |
| Sent | 4 Nov 2026, 7:57:37 UTC |
| Report deadline | 9 Nov 2026, 7:57:37 UTC |
| Received | 4 Nov 2026, 9:00:41 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 596137 |
| Run time | 1 hours 2 min 2 sec |
| CPU time | 58 min 2 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 15,670.82 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 700.57 MB |
| Peak swap size | 3.86 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.9</core_client_version>
<![CDATA[
<stderr_txt>
08:59:56 (6480): wrapper (7.9.26016): starting
08:59:56 (6480): 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
08:59:59 (6480): Library/usr/bin/tar.exe exited; CPU time 0.000000
08:59:59 (6480): 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\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:\ProgramData\BOINC\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
09:59:57 (6480): C:/Windows/system32/cmd.exe exited; CPU time 3482.687500
09:59:57 (6480): 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: 41385765 bytes.
Dumping objects ->
{3835420} normal block at 0x0000020BEB5D7DB0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835409} normal block at 0x0000020BEB5D7FE0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835398} normal block at 0x0000020BEB5D7560, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835387} normal block at 0x0000020BEB5D7790, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835376} normal block at 0x0000020BE9AAB160, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835345} normal block at 0x0000020BEB57B120, 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) : {3835332} normal block at 0x0000020BE9AA71A0, 8 bytes long.
Data: < në > 00 00 6E EB 0B 02 00 00
{3833953} normal block at 0x0000020BE9AA7060, 8 bytes long.
Data: <pe]ë > 70 65 5D EB 0B 02 00 00
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x0000020BE9AAC2C0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000020BE9A95B00, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{292} normal block at 0x0000020BE9AB2270, 16 bytes long.
Data: <(7«é > 28 37 AB E9 0B 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000020BE9AB2AE0, 16 bytes long.
Data: < 7«é > 00 37 AB E9 0B 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000020BE9AAC5E0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{289} normal block at 0x0000020BE9AB2450, 16 bytes long.
Data: <Ø6«é > D8 36 AB E9 0B 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000020BE9AB2090, 16 bytes long.
Data: <°6«é > B0 36 AB E9 0B 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000020BE9AB2360, 16 bytes long.
Data: < 6«é > 88 36 AB E9 0B 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000020BE9AB2A40, 16 bytes long.
Data: <`6«é > 60 36 AB E9 0B 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000020BE9AAB5C0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{284} normal block at 0x0000020BE9AB29F0, 16 bytes long.
Data: < Z©é > 98 5A A9 E9 0B 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000020BE9AACC40, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{282} normal block at 0x0000020BE9AB2220, 16 bytes long.
Data: <pZ©é > 70 5A A9 E9 0B 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000020BE9AB2040, 16 bytes long.
Data: <HZ©é > 48 5A A9 E9 0B 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000020BE9AB2950, 16 bytes long.
Data: < Z©é > 20 5A A9 E9 0B 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000020BE9AB2EF0, 16 bytes long.
Data: <øY©é > F8 59 A9 E9 0B 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000020BE9AB28B0, 16 bytes long.
Data: <ÐY©é > D0 59 A9 E9 0B 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000020BE9AB2E50, 16 bytes long.
Data: <¨Y©é > A8 59 A9 E9 0B 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000020BE9AAD2A0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{274} normal block at 0x0000020BE9AB2860, 16 bytes long.
Data: < Y©é > 80 59 A9 E9 0B 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000020BE9A95980, 320 bytes long.
Data: <`(«é  Òªé > 60 28 AB E9 0B 02 00 00 A0 D2 AA E9 0B 02 00 00
{272} normal block at 0x0000020BE9AB2E00, 16 bytes long.
Data: <@6«é > 40 36 AB E9 0B 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000020BE9AB2810, 16 bytes long.
Data: < 6«é > 18 36 AB E9 0B 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000020BE9AACB80, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{269} normal block at 0x0000020BE9AB2900, 16 bytes long.
Data: <ð5«é > F0 35 AB E9 0B 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000020BE9AACCA0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{267} normal block at 0x0000020BE9AB2EA0, 16 bytes long.
Data: <85«é > 38 35 AB E9 0B 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000020BE9AB2310, 16 bytes long.
Data: < 5«é > 10 35 AB E9 0B 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000020BE9AB2770, 16 bytes long.
Data: <è4«é > E8 34 AB E9 0B 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000020BE9AB21D0, 16 bytes long.
Data: <À4«é > C0 34 AB E9 0B 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000020BE9AB2630, 16 bytes long.
Data: < 4«é > 98 34 AB E9 0B 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000020BE9AB2540, 16 bytes long.
Data: <p4«é > 70 34 AB E9 0B 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000020BE9AB2DB0, 16 bytes long.
Data: < ³ªé > 20 B3 AA E9 0B 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x0000020BE9AAB320, 40 bytes long.
Data: <°-«é ±Wë > B0 2D AB E9 0B 02 00 00 20 B1 57 EB 0B 02 00 00
{258} normal block at 0x0000020BE9AB27C0, 16 bytes long.
Data: <P4«é > 50 34 AB E9 0B 02 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x0000020BE9AB2720, 16 bytes long.
Data: <(4«é > 28 34 AB E9 0B 02 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x0000020BE9AAD120, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{255} normal block at 0x0000020BE9AB2180, 16 bytes long.
Data: < 4«é > 00 34 AB E9 0B 02 00 00 00 00 00 00 00 00 00 00
{254} normal block at 0x0000020BE9AB3400, 992 bytes long.
Data: < !«é Ѫé > 80 21 AB E9 0B 02 00 00 20 D1 AA E9 0B 02 00 00
{90} normal block at 0x0000020BE9AAC760, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{89} normal block at 0x0000020BE9AA6B10, 16 bytes long.
Data: <P概 > 50 B5 AA E9 0B 02 00 00 00 00 00 00 00 00 00 00
{88} normal block at 0x0000020BE9AAB550, 40 bytes long.
Data: < kªé `Ǫé > 10 6B AA E9 0B 02 00 00 60 C7 AA E9 0B 02 00 00
{67} normal block at 0x0000020BE9AA6520, 16 bytes long.
Data: < êšBö > 80 EA 9A 42 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000020BE9AA6980, 16 bytes long.
Data: <@éšBö > 40 E9 9A 42 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000020BE9AA6390, 16 bytes long.
Data: <øW—Bö > F8 57 97 42 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000020BE9AA6AC0, 16 bytes long.
Data: <ØW—Bö > D8 57 97 42 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000020BE9AA7010, 16 bytes long.
Data: <P —Bö > 50 04 97 42 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000020BE9AA6930, 16 bytes long.
Data: <0 —Bö > 30 04 97 42 F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x0000020BE9AA6FC0, 16 bytes long.
Data: <à —Bö > E0 02 97 42 F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x0000020BE9AA7240, 16 bytes long.
Data: < —Bö > 10 04 97 42 F6 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x0000020BE9AA6F70, 16 bytes long.
Data: <p —Bö > 70 04 97 42 F6 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x0000020BE9AA6F20, 16 bytes long.
Data: < À•Bö > 18 C0 95 42 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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