Task 38660615

Name test_577-GPUGRID_TEST_ATM_40STEP_20261023-5-40-RND3639_0
Workunit 31604103
Created 24 Oct 2026, 14:28:16 UTC
Sent 24 Oct 2026, 14:34:30 UTC
Report deadline 29 Oct 2026, 14:34:30 UTC
Received 24 Oct 2026, 16:05:50 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654805
Run time 22 min 30 sec
CPU time 20 min 9 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 34,717.23 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 691.90 MB
Peak swap size 3.97 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
22:43:24 (11104): wrapper (7.9.26016): starting
22:43:24 (11104): 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
22:43:45 (11104): Library/usr/bin/tar.exe exited; CPU time 0.109375
22:43:45 (11104): 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
23:05:32 (11104): C:/Windows/system32/cmd.exe exited; CPU time 1209.125000
23:05:32 (11104): 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: 24273495 bytes.
Dumping objects ->
{3835168} normal block at 0x000001EDFF6380F0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835157} normal block at 0x000001EDFD994E90, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835146} normal block at 0x000001EDFD995050, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835135} normal block at 0x000001EDFD994B10, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835124} normal block at 0x000001EDFD994E20, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835093} normal block at 0x000001EDFF6462B0, 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) : {3835080} normal block at 0x000001EDFD98E8B0, 8 bytes long.
 Data: <  &#213;&#253;&#237;   > 00 00 D5 FD ED 01 00 00 
{3833939} normal block at 0x000001EDFD98E860, 8 bytes long.
 Data: <&#240;&#233;&#166;&#253;&#237;   > F0 E9 A6 FD ED 01 00 00 
..\zip\boinc_zip.cpp(122) : {301} normal block at 0x000001EDFD98FF50, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001EDFD985750, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{285} normal block at 0x000001EDFD996120, 16 bytes long.
 Data: < U &#253;&#237;           > 88 55 99 FD ED 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001EDFD9960D0, 16 bytes long.
 Data: <`U &#253;&#237;           > 60 55 99 FD ED 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001EDFD991CF0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{282} normal block at 0x000001EDFD996080, 16 bytes long.
 Data: <8U &#253;&#237;           > 38 55 99 FD ED 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001EDFD996530, 16 bytes long.
 Data: < U &#253;&#237;           > 10 55 99 FD ED 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001EDFD995C20, 16 bytes long.
 Data: <&#232;T &#253;&#237;           > E8 54 99 FD ED 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001EDFD995E50, 16 bytes long.
 Data: <&#192;T &#253;&#237;           > C0 54 99 FD ED 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001EDFD994BF0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{277} normal block at 0x000001EDFD995720, 16 bytes long.
 Data: < &#180;&#151;&#253;&#237;           > 08 B4 97 FD ED 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001EDFD991E10, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{275} normal block at 0x000001EDFD9956D0, 16 bytes long.
 Data: <&#224;&#179;&#151;&#253;&#237;           > E0 B3 97 FD ED 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001EDFD996030, 16 bytes long.
 Data: <&#184;&#179;&#151;&#253;&#237;           > B8 B3 97 FD ED 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001EDFD9959F0, 16 bytes long.
 Data: <&#144;&#179;&#151;&#253;&#237;           > 90 B3 97 FD ED 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001EDFD995950, 16 bytes long.
 Data: <h&#179;&#151;&#253;&#237;           > 68 B3 97 FD ED 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001EDFD995F40, 16 bytes long.
 Data: <@&#179;&#151;&#253;&#237;           > 40 B3 97 FD ED 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001EDFD995FE0, 16 bytes long.
 Data: < &#179;&#151;&#253;&#237;           > 18 B3 97 FD ED 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001EDFD991930, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{267} normal block at 0x000001EDFD9959A0, 16 bytes long.
 Data: <&#240;&#178;&#151;&#253;&#237;           > F0 B2 97 FD ED 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001EDFD97B2F0, 320 bytes long.
 Data: <&#160;Y &#253;&#237;   0  &#253;&#237;   > A0 59 99 FD ED 01 00 00 30 19 99 FD ED 01 00 00 
{265} normal block at 0x000001EDFD995F90, 16 bytes long.
 Data: <&#160;T &#253;&#237;           > A0 54 99 FD ED 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001EDFD995B30, 16 bytes long.
 Data: <xT &#253;&#237;           > 78 54 99 FD ED 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001EDFD991F90, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{262} normal block at 0x000001EDFD996440, 16 bytes long.
 Data: <PT &#253;&#237;           > 50 54 99 FD ED 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001EDFD991450, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{260} normal block at 0x000001EDFD9957C0, 16 bytes long.
 Data: < S &#253;&#237;           > 98 53 99 FD ED 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001EDFD996170, 16 bytes long.
 Data: <pS &#253;&#237;           > 70 53 99 FD ED 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001EDFD995A90, 16 bytes long.
 Data: <HS &#253;&#237;           > 48 53 99 FD ED 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001EDFD995B80, 16 bytes long.
 Data: < S &#253;&#237;           > 20 53 99 FD ED 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001EDFD98EEF0, 16 bytes long.
 Data: <&#248;R &#253;&#237;           > F8 52 99 FD ED 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000001EDFD98EC70, 16 bytes long.
 Data: <&#208;R &#253;&#237;           > D0 52 99 FD ED 01 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x000001EDFD98EB30, 16 bytes long.
 Data: <0Q &#253;&#237;           > 30 51 99 FD ED 01 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x000001EDFD995130, 40 bytes long.
 Data: <0&#235; &#253;&#237;   &#176;bd&#255;&#237;   > 30 EB 98 FD ED 01 00 00 B0 62 64 FF ED 01 00 00 
{251} normal block at 0x000001EDFD98EA90, 16 bytes long.
 Data: <&#176;R &#253;&#237;           > B0 52 99 FD ED 01 00 00 00 00 00 00 00 00 00 00 
{250} normal block at 0x000001EDFD98EA40, 16 bytes long.
 Data: < R &#253;&#237;           > 88 52 99 FD ED 01 00 00 00 00 00 00 00 00 00 00 
{249} normal block at 0x000001EDFD991D50, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{248} normal block at 0x000001EDFD98E9F0, 16 bytes long.
 Data: <`R &#253;&#237;           > 60 52 99 FD ED 01 00 00 00 00 00 00 00 00 00 00 
{247} normal block at 0x000001EDFD995260, 992 bytes long.
 Data: <&#240;&#233; &#253;&#237;   P  &#253;&#237;   > F0 E9 98 FD ED 01 00 00 50 1D 99 FD ED 01 00 00 
{83} normal block at 0x000001EDFD9913F0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{82} normal block at 0x000001EDFD98EB80, 16 bytes long.
 Data: <@&#237;&#151;&#253;&#237;           > 40 ED 97 FD ED 01 00 00 00 00 00 00 00 00 00 00 
{81} normal block at 0x000001EDFD97ED40, 40 bytes long.
 Data: <&#128;&#235; &#253;&#237;   &#240;  &#253;&#237;   > 80 EB 98 FD ED 01 00 00 F0 13 99 FD ED 01 00 00 
{60} normal block at 0x000001EDFD98E5E0, 16 bytes long.
 Data: <&#128;&#234;&#198; &#247;           > 80 EA C6 1F F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001EDFD98E360, 16 bytes long.
 Data: <@&#233;&#198; &#247;           > 40 E9 C6 1F F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000001EDFD98E4F0, 16 bytes long.
 Data: <&#248;W&#195; &#247;           > F8 57 C3 1F F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000001EDFD98E3B0, 16 bytes long.
 Data: <&#216;W&#195; &#247;           > D8 57 C3 1F F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x000001EDFD98EC20, 16 bytes long.
 Data: <P &#195; &#247;           > 50 04 C3 1F F7 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x000001EDFD98E720, 16 bytes long.
 Data: <0 &#195; &#247;           > 30 04 C3 1F F7 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x000001EDFD98E4A0, 16 bytes long.
 Data: <&#224; &#195; &#247;           > E0 02 C3 1F F7 7F 00 00 00 00 00 00 00 00 00 00 
{53} normal block at 0x000001EDFD98E6D0, 16 bytes long.
 Data: <  &#195; &#247;           > 10 04 C3 1F F7 7F 00 00 00 00 00 00 00 00 00 00 
{52} normal block at 0x000001EDFD98F170, 16 bytes long.
 Data: <p &#195; &#247;           > 70 04 C3 1F F7 7F 00 00 00 00 00 00 00 00 00 00 
{51} normal block at 0x000001EDFD98EE00, 16 bytes long.
 Data: < &#192;&#193; &#247;           > 18 C0 C1 1F F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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